Showing metabocard for Preproatrial natriuretic factor (104-123) (HMDB0244392)
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| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Detected but not Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2021-09-10 21:33:17 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-09-26 22:52:06 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0244392 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Preproatrial natriuretic factor (104-123) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Preproatrial natriuretic factor (104-123) belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Based on a literature review very few articles have been published on Preproatrial natriuretic factor (104-123). This compound has been identified in human blood as reported by (PMID: 31557052 ). Preproatrial natriuretic factor (104-123) is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Preproatrial natriuretic factor (104-123) is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for HMDB0244392 (Preproatrial natriuretic factor (104-123))
Mrv1652309102123332D
153153 0 0 0 0 999 V2000
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M END
3D MOL for HMDB0244392 (Preproatrial natriuretic factor (104-123))HMDB0244392
RDKit 3D
Preproatrial natriuretic factor (104-123)
324324 0 0 0 0 0 0 0 0999 V2000
-2.9305 -4.8412 -3.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
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42 43 1 0
43 44 2 0
43 45 1 0
45 46 1 0
45 47 1 0
47 48 1 0
5 49 1 0
49 50 2 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
54 56 1 0
52 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
60 66 1 0
66 67 2 0
66 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
69 72 1 0
72 73 2 0
72 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
75 81 1 0
81 82 2 0
81 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
86 88 1 0
84 89 1 0
89 90 2 0
89 91 1 0
91 92 1 0
92 93 1 0
93 94 1 0
94 95 1 0
95 96 1 0
96 97 1 0
97 98 2 3
97 99 1 0
92100 1 0
100101 2 0
100102 1 0
102103 1 0
103104 1 0
103105 1 0
105106 2 0
105107 1 0
107108 1 0
108109 1 0
109110 1 0
110111 1 0
110112 1 0
108113 1 0
113114 2 0
113115 1 0
115116 1 0
116117 1 0
117118 1 0
118119 1 0
118120 1 0
116121 1 0
121122 2 0
121123 1 0
123124 1 0
124125 1 0
125126 2 0
125127 1 0
127128 1 0
128129 1 0
128130 1 0
130131 2 0
130132 1 0
132133 1 0
133134 1 0
134135 1 0
135136 1 0
136137 1 0
137138 2 0
137139 1 0
139140 1 0
140141 1 0
141142 1 0
142143 1 0
143144 1 0
144145 1 0
145146 2 3
145147 1 0
140148 1 0
148149 2 0
148150 1 0
124151 1 0
151152 1 0
151153 1 0
136132 1 0
1154 1 0
1155 1 0
1156 1 0
2157 1 0
3158 1 0
3159 1 0
3160 1 0
4161 1 0
4162 1 0
5163 1 0
6164 1 0
9165 1 0
10166 1 0
10167 1 0
10168 1 0
11169 1 0
14170 1 0
15171 1 0
15172 1 0
16173 1 0
17174 1 0
20175 1 0
21176 1 0
21177 1 0
22178 1 0
22179 1 0
23180 1 0
23181 1 0
24182 1 0
26183 1 0
27184 1 0
27185 1 0
28186 1 0
31187 1 0
32188 1 0
32189 1 0
35190 1 0
36191 1 0
39192 1 0
40193 1 0
40194 1 0
41195 1 0
42196 1 0
45197 1 0
46198 1 0
46199 1 0
47200 1 0
47201 1 0
48202 1 0
51203 1 0
52204 1 0
53205 1 0
53206 1 0
54207 1 0
55208 1 0
55209 1 0
55210 1 0
56211 1 0
56212 1 0
56213 1 0
59214 1 0
60215 1 0
61216 1 0
61217 1 0
62218 1 0
62219 1 0
63220 1 0
63221 1 0
64222 1 0
64223 1 0
65224 1 0
65225 1 0
68226 1 0
69227 1 0
70228 1 0
70229 1 0
71230 1 0
74231 1 0
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78237 1 0
78238 1 0
79239 1 0
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80241 1 0
80242 1 0
83243 1 0
84244 1 0
85245 1 0
85246 1 0
86247 1 0
87248 1 0
87249 1 0
87250 1 0
88251 1 0
88252 1 0
88253 1 0
91254 1 0
92255 1 0
93256 1 0
93257 1 0
94258 1 0
94259 1 0
95260 1 0
95261 1 0
96262 1 0
98263 1 0
99264 1 0
99265 1 0
102266 1 0
103267 1 0
104268 1 0
104269 1 0
104270 1 0
107271 1 0
108272 1 0
109273 1 0
109274 1 0
110275 1 0
111276 1 0
111277 1 0
111278 1 0
112279 1 0
112280 1 0
112281 1 0
115282 1 0
116283 1 0
117284 1 0
117285 1 0
118286 1 0
119287 1 0
119288 1 0
119289 1 0
120290 1 0
120291 1 0
120292 1 0
123293 1 0
124294 1 0
127295 1 0
128296 1 0
129297 1 0
129298 1 0
129299 1 0
133300 1 0
133301 1 0
134302 1 0
134303 1 0
135304 1 0
135305 1 0
136306 1 0
139307 1 0
140308 1 0
141309 1 0
141310 1 0
142311 1 0
142312 1 0
143313 1 0
143314 1 0
144315 1 0
146316 1 0
147317 1 0
147318 1 0
150319 1 0
151320 1 0
152321 1 0
152322 1 0
152323 1 0
153324 1 0
M END
3D SDF for HMDB0244392 (Preproatrial natriuretic factor (104-123))
Mrv1652309102123332D
153153 0 0 0 0 999 V2000
6.2033 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2033 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4888 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9178 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9178 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2033 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2033 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4888 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7744 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7744 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0599 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0599 -3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0599 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0599 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9165 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 -0.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9165 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9165 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2020 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4875 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4875 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9414 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0277 -2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8346 -2.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2471 -1.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6951 -1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8666 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 0.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 -0.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8228 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6074 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7789 1.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5635 1.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7351 2.6756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5197 2.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1328 2.3785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6912 3.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3812 1.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4250 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6322 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3467 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3467 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0612 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0612 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7757 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4901 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4901 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2046 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2046 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6335 1.2348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6335 2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 2.4723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3480 2.4723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6335 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6335 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3480 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3480 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6335 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6335 -3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0625 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.7769 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7769 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4914 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4914 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7769 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7769 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0625 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0625 2.0598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.2059 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.9204 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9204 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6348 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6348 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9204 -2.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3493 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.0638 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0638 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.7782 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7782 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0638 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0638 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3493 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3493 2.0598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4927 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.2072 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2072 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.9217 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9217 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2072 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2072 -3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4927 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6361 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.3506 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3506 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.0651 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.0651 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3506 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6361 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3506 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7795 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
25.4940 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4940 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.2085 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.2085 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.9230 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27.6374 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.6374 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.3519 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.3519 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.6374 -0.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.0664 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
29.7808 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7808 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
30.4953 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
30.4953 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7808 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7808 -3.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.0664 -4.1277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
29.0664 -4.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7808 -5.3652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
28.3519 -5.3652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
31.2098 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
31.9243 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.9243 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
32.6387 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.6387 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.9243 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.2098 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
31.9243 0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
33.3532 -1.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
34.0677 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.0677 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
34.7821 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.7821 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.0677 -2.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
35.4966 -1.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
36.2111 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.2111 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
36.9255 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.6400 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.3545 -1.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
36.9255 -0.4152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
9 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
17 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
5 47 1 0 0 0 0
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48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
55 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 1 0 0 0 0
66 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
74 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
83 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 2 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
89 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 2 0 0 0 0
96 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
98103 1 0 0 0 0
103104 1 0 0 0 0
104105 2 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 1 0 0 0 0
108109 1 0 0 0 0
108110 1 0 0 0 0
106111 1 0 0 0 0
111112 1 0 0 0 0
112113 2 0 0 0 0
112114 1 0 0 0 0
114115 1 0 0 0 0
114116 1 0 0 0 0
116117 1 0 0 0 0
117118 2 0 0 0 0
117119 1 0 0 0 0
119120 1 0 0 0 0
120121 1 0 0 0 0
119122 1 0 0 0 0
122123 1 0 0 0 0
123124 2 0 0 0 0
123125 1 0 0 0 0
125126 1 0 0 0 0
126127 1 0 0 0 0
127128 1 0 0 0 0
128129 1 0 0 0 0
129130 1 0 0 0 0
130131 2 0 0 0 0
130132 1 0 0 0 0
125133 1 0 0 0 0
133134 1 0 0 0 0
134135 2 0 0 0 0
134136 1 0 0 0 0
136137 1 0 0 0 0
137138 1 0 0 0 0
138139 2 0 0 0 0
138140 1 0 0 0 0
136141 1 0 0 0 0
141142 1 0 0 0 0
142143 2 0 0 0 0
142144 1 0 0 0 0
144145 1 0 0 0 0
145146 1 0 0 0 0
144147 1 0 0 0 0
147148 1 0 0 0 0
148149 2 0 0 0 0
148150 1 0 0 0 0
150151 1 0 0 0 0
151152 1 0 0 0 0
150153 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0244392
> <DATABASE_NAME>
hmdb
> <SMILES>
CC(C)CC(NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)CO)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C94H171N31O28/c1-45(2)35-60(116-73(134)51(12)108-85(146)66(42-127)122-78(139)58(26-20-32-105-93(100)101)112-83(144)65(40-70(131)132)120-87(148)67(43-128)121-74(135)54(97)41-126)81(142)118-63(38-48(7)8)80(141)110-56(24-16-18-30-96)77(138)123-68(44-129)86(147)113-55(23-15-17-29-95)76(137)117-62(37-47(5)6)79(140)111-57(25-19-31-104-92(98)99)75(136)107-50(11)72(133)115-61(36-46(3)4)82(143)119-64(39-49(9)10)84(145)124-71(53(14)130)89(150)109-52(13)90(151)125-34-22-28-69(125)88(149)114-59(91(152)153)27-21-33-106-94(102)103/h45-69,71,126-130H,15-44,95-97H2,1-14H3,(H,107,136)(H,108,146)(H,109,150)(H,110,141)(H,111,140)(H,112,144)(H,113,147)(H,114,149)(H,115,133)(H,116,134)(H,117,137)(H,118,142)(H,119,143)(H,120,148)(H,121,135)(H,122,139)(H,123,138)(H,124,145)(H,131,132)(H,152,153)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106)
> <INCHI_KEY>
PBZROVYZANOHJC-UHFFFAOYSA-N
> <FORMULA>
C94H171N31O28
> <MOLECULAR_WEIGHT>
2183.591
> <EXACT_MASS>
2182.29098399
> <JCHEM_ACCEPTOR_COUNT>
40
> <JCHEM_ATOM_COUNT>
324
> <JCHEM_AVERAGE_POLARIZABILITY>
229.27629593805742
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
37
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
2-[(1-{2-[2-(2-{2-[2-(2-{2-[6-amino-2-(2-{6-amino-2-[2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-3-hydroxypropanamido]-3-carboxypropanamido}-5-carbamimidamidopentanamido)-3-hydroxypropanamido]propanamido}-4-methylpentanamido)-4-methylpentanamido]hexanamido}-3-hydroxypropanamido)hexanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido)propanamido]-4-methylpentanamido}-4-methylpentanamido)-3-hydroxybutanamido]propanoyl}pyrrolidin-2-yl)formamido]-5-carbamimidamidopentanoic acid
> <ALOGPS_LOGP>
-1.86
> <JCHEM_LOGP>
-16.43003374074648
> <ALOGPS_LOGS>
-4.49
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
4
> <JCHEM_PKA>
3.8319247855064535
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.229801892347454
> <JCHEM_PKA_STRONGEST_BASIC>
12.435020573003932
> <JCHEM_POLAR_SURFACE_AREA>
983.6200000000001
> <JCHEM_REFRACTIVITY>
578.2795
> <JCHEM_ROTATABLE_BOND_COUNT>
75
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
7.04e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
2-[(1-{2-[2-(2-{2-[2-(2-{2-[6-amino-2-(2-{6-amino-2-[2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-3-hydroxypropanamido]-3-carboxypropanamido}-5-carbamimidamidopentanamido)-3-hydroxypropanamido]propanamido}-4-methylpentanamido)-4-methylpentanamido]hexanamido}-3-hydroxypropanamido)hexanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido)propanamido]-4-methylpentanamido}-4-methylpentanamido)-3-hydroxybutanamido]propanoyl}pyrrolidin-2-yl)formamido]-5-carbamimidamidopentanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0244392 (Preproatrial natriuretic factor (104-123))HMDB0244392
RDKit 3D
Preproatrial natriuretic factor (104-123)
324324 0 0 0 0 0 0 0 0999 V2000
-2.9305 -4.8412 -3.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8439 -3.8487 -2.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 -4.6606 -2.8099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9897 -3.4408 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2809 -2.8163 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1548 -2.5333 0.5927 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5857 -3.4231 1.5753 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1149 -4.5591 1.2828 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4274 -3.0663 3.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6989 -2.5192 3.6158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1468 -4.3497 3.7274 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9109 -4.5754 4.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0556 -3.6438 4.3095 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5614 -5.8041 5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 -7.0046 4.5075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1707 -8.1411 5.2435 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1482 -6.1225 4.8927 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5573 -7.1078 5.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 -7.8807 6.4313 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 -7.3148 5.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5603 -6.3925 4.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0414 -6.5582 4.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4799 -5.5633 2.9864 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8103 -5.8207 1.7449 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0872 -5.0031 0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2244 -4.0340 0.3684 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2462 -5.2073 -0.1524 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 -8.7333 5.1554 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0343 -9.3267 3.8969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5999 -8.6198 2.9112 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2282 -10.7578 3.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8028 -11.4988 4.7624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1299 -11.0193 5.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6748 -10.0988 4.4337 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9007 -11.4384 6.2211 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 -11.3739 2.9573 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1589 -10.7348 2.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4241 -9.6076 3.2415 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2913 -11.4268 2.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 -11.8708 0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1218 -12.7245 0.6391 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4445 -10.5345 2.1069 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5555 -10.8217 2.8969 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -11.8842 3.6149 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7821 -9.9994 2.9903 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7708 -8.8870 2.0597 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0292 -10.8544 2.8229 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0252 -11.9201 3.6969 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8329 -1.7157 -1.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1184 -0.6703 -0.7485 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1422 -1.4373 -2.8774 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7350 -0.3288 -3.5486 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2003 -0.1872 -3.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7726 1.0668 -3.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2870 1.0805 -3.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1574 2.2380 -3.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2744 -0.2297 -4.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0443 -0.1137 -5.1149 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2247 -0.2894 -5.9988 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1022 -0.1583 -7.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1512 -1.5650 -7.9803 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0500 -1.6635 -9.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0312 -3.1462 -9.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2377 -3.8827 -9.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1716 -5.2922 -9.6609 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8873 0.5481 -7.8356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7210 0.3427 -7.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0870 1.6212 -8.7631 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0794 2.4605 -9.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6430 3.2963 -10.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2120 2.4830 -11.4426 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4166 3.2938 -8.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0217 2.7941 -7.2197 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2435 4.6810 -8.4966 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5696 5.5036 -7.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0868 6.7760 -8.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1005 6.5738 -9.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1047 5.8012 -8.7446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8932 6.4366 -7.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0065 5.5893 -7.3529 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4662 5.7006 -6.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5952 5.1700 -6.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0558 6.4748 -5.2274 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9399 6.6176 -4.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2274 8.0721 -3.8719 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1317 8.4029 -2.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4858 7.7233 -2.8679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5676 8.1549 -1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0766 6.1552 -2.9142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8680 6.5890 -2.9201 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4810 5.2971 -1.8700 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 4.9243 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1722 4.5670 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1289 3.3905 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7138 3.1765 1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6464 2.0943 1.7333 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3258 1.7728 2.9567 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8178 0.6060 3.0770 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4544 2.7062 3.9949 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5371 3.9537 -1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6943 3.6779 -2.6364 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5118 3.3293 -0.7377 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4457 2.4358 -1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4868 1.0813 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8297 3.0687 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 4.1003 -0.6198 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9145 2.4938 -1.9484 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2812 2.8794 -2.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2973 1.8056 -1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2813 0.6963 -2.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4494 1.1807 -4.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2182 -0.3012 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6573 4.0154 -1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9086 5.0346 -1.0666 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7924 4.0419 -0.2632 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0346 5.1955 0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3636 5.7392 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4833 4.9273 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7116 5.8684 1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9042 3.7294 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2277 4.9471 1.7872 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0402 4.4442 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3900 5.1078 3.1708 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2963 4.7496 4.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 3.7568 5.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5341 3.9108 5.8685 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6790 2.6549 5.2741 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6193 1.6342 6.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1389 1.6276 6.7977 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 0.2547 5.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3619 -0.5749 5.9326 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1591 -0.3092 5.3090 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9362 -1.7285 5.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0446 -1.9423 4.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1419 -0.7190 4.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1615 0.3712 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 1.5287 4.9827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 2.2449 3.9394 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0686 2.1465 6.1876 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3355 3.4423 6.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5689 4.3276 7.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1552 5.6273 7.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1202 6.5923 8.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6127 7.8002 7.9374 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0222 7.8972 7.8992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 8.1704 6.7440 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8974 7.7211 8.9800 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0899 3.0254 5.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5091 1.8776 5.7935 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0277 4.0748 5.6250 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8976 6.0863 4.7308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7152 5.8624 5.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5564 6.9604 3.7268 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9212 -4.4088 -3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6008 -5.2723 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8671 -5.6945 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 -3.0431 -3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3416 -4.0035 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6245 -5.1388 -3.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4466 -5.4023 -2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1421 -2.8476 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9197 -4.4103 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0359 -3.6985 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7221 -1.6312 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5793 -2.3647 3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4074 -1.6197 4.2237 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1691 -3.2347 4.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4527 -2.2237 2.8444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9456 -5.0150 3.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7781 -5.8031 6.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0397 -7.1882 3.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4550 -6.7368 4.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9663 -8.7274 5.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4435 -5.5425 4.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5434 -7.0216 6.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3989 -5.3144 4.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9638 -6.4971 3.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6409 -6.3463 4.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3270 -7.5358 3.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2315 -4.5336 3.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5643 -5.6431 2.8852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1416 -6.5994 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4481 -3.4317 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1575 -5.5372 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1745 -5.0096 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6443 -9.2953 5.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1142 -10.7524 2.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9106 -12.6086 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1003 -11.4610 5.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 -11.5623 7.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2719 -12.3446 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5040 -12.3154 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8751 -12.3985 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 -11.0217 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -13.3401 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3792 -9.6735 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8234 -9.5878 4.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3835 -8.0626 2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2750 -9.1274 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8848 -10.2021 2.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0265 -11.2291 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7385 -11.5859 4.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8907 -2.2421 -3.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3230 0.5784 -2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7945 -1.0652 -3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3706 -0.0826 -2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5712 1.3124 -4.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7626 1.5601 -4.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5433 1.6492 -2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5902 0.0111 -3.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7663 3.1292 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2161 1.9422 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1405 2.4105 -3.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2487 -0.5732 -5.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9612 0.4483 -7.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1585 -1.9555 -7.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4202 -2.2057 -7.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2379 -1.1060 -9.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9962 -1.2640 -9.9270 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8862 -3.2688 -10.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1454 -3.6653 -9.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2263 -3.8656 -8.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5517 -5.9099 -8.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1581 -5.5954 -9.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0923 1.8485 -9.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4825 3.9129 -10.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5943 5.1031 -9.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6883 4.8833 -7.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5844 7.4355 -7.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 7.4102 -8.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 7.5789 -9.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6219 6.0525 -9.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 5.7018 -9.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8172 4.7803 -8.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2915 6.5155 -6.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2605 7.4339 -7.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 6.0393 -7.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 4.7030 -6.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1540 6.9645 -5.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8332 6.0163 -4.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 8.6544 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 8.5562 -4.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2870 9.5226 -2.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2680 8.3025 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4152 6.7663 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7318 7.4968 -3.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1262 7.2765 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4827 8.0515 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9145 9.0208 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4588 4.9306 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 5.8616 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 5.3989 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 4.2708 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9323 3.5373 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5696 2.4691 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2580 4.1211 1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8662 2.9781 2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8380 1.5359 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3240 0.2226 3.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4451 3.7271 3.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5823 2.3605 4.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6607 3.5072 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2372 2.2755 -2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8896 1.1509 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0887 0.2599 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5123 0.8346 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6521 1.6091 -2.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4353 3.3931 -3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3212 1.3973 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3045 2.3202 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2629 0.1298 -2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1575 2.0291 -4.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9142 0.3610 -4.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4821 1.4728 -4.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6648 -1.3449 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7563 -0.1606 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4680 -0.3533 -3.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4491 3.2638 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4268 6.0397 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6866 6.2034 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2887 6.6456 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3430 4.6839 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6524 5.3124 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6122 6.4120 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5793 6.6269 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4362 2.7937 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6659 3.8255 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0337 3.6357 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2528 5.4846 3.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4853 4.3758 3.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9308 2.6181 4.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1236 1.8953 7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1630 0.6543 7.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7481 1.5245 5.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2618 2.4252 7.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 -2.3187 5.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4030 -2.0818 6.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6026 -1.7657 3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5302 -2.8992 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 -0.9196 5.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6163 -0.4777 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7188 0.6110 3.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2535 1.7671 7.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6310 3.9414 5.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6692 4.6123 7.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3955 3.8340 8.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2531 5.4042 7.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 6.1620 6.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2614 6.1373 9.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1928 6.8037 8.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 8.6721 7.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6289 8.2617 6.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6326 8.1042 9.9045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8016 7.2182 8.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8782 4.6680 4.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7687 6.3713 5.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4882 4.7566 5.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 6.3325 5.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8062 6.3036 6.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6685 7.4094 3.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 3
25 27 1 0
20 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
31 36 1 0
36 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
39 42 1 0
42 43 1 0
43 44 2 0
43 45 1 0
45 46 1 0
45 47 1 0
47 48 1 0
5 49 1 0
49 50 2 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
54 56 1 0
52 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
60 66 1 0
66 67 2 0
66 68 1 0
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69 70 1 0
70 71 1 0
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72 73 2 0
72 74 1 0
74 75 1 0
75 76 1 0
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78 79 1 0
79 80 1 0
75 81 1 0
81 82 2 0
81 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
86 88 1 0
84 89 1 0
89 90 2 0
89 91 1 0
91 92 1 0
92 93 1 0
93 94 1 0
94 95 1 0
95 96 1 0
96 97 1 0
97 98 2 3
97 99 1 0
92100 1 0
100101 2 0
100102 1 0
102103 1 0
103104 1 0
103105 1 0
105106 2 0
105107 1 0
107108 1 0
108109 1 0
109110 1 0
110111 1 0
110112 1 0
108113 1 0
113114 2 0
113115 1 0
115116 1 0
116117 1 0
117118 1 0
118119 1 0
118120 1 0
116121 1 0
121122 2 0
121123 1 0
123124 1 0
124125 1 0
125126 2 0
125127 1 0
127128 1 0
128129 1 0
128130 1 0
130131 2 0
130132 1 0
132133 1 0
133134 1 0
134135 1 0
135136 1 0
136137 1 0
137138 2 0
137139 1 0
139140 1 0
140141 1 0
141142 1 0
142143 1 0
143144 1 0
144145 1 0
145146 2 3
145147 1 0
140148 1 0
148149 2 0
148150 1 0
124151 1 0
151152 1 0
151153 1 0
136132 1 0
1154 1 0
1155 1 0
1156 1 0
2157 1 0
3158 1 0
3159 1 0
3160 1 0
4161 1 0
4162 1 0
5163 1 0
6164 1 0
9165 1 0
10166 1 0
10167 1 0
10168 1 0
11169 1 0
14170 1 0
15171 1 0
15172 1 0
16173 1 0
17174 1 0
20175 1 0
21176 1 0
21177 1 0
22178 1 0
22179 1 0
23180 1 0
23181 1 0
24182 1 0
26183 1 0
27184 1 0
27185 1 0
28186 1 0
31187 1 0
32188 1 0
32189 1 0
35190 1 0
36191 1 0
39192 1 0
40193 1 0
40194 1 0
41195 1 0
42196 1 0
45197 1 0
46198 1 0
46199 1 0
47200 1 0
47201 1 0
48202 1 0
51203 1 0
52204 1 0
53205 1 0
53206 1 0
54207 1 0
55208 1 0
55209 1 0
55210 1 0
56211 1 0
56212 1 0
56213 1 0
59214 1 0
60215 1 0
61216 1 0
61217 1 0
62218 1 0
62219 1 0
63220 1 0
63221 1 0
64222 1 0
64223 1 0
65224 1 0
65225 1 0
68226 1 0
69227 1 0
70228 1 0
70229 1 0
71230 1 0
74231 1 0
75232 1 0
76233 1 0
76234 1 0
77235 1 0
77236 1 0
78237 1 0
78238 1 0
79239 1 0
79240 1 0
80241 1 0
80242 1 0
83243 1 0
84244 1 0
85245 1 0
85246 1 0
86247 1 0
87248 1 0
87249 1 0
87250 1 0
88251 1 0
88252 1 0
88253 1 0
91254 1 0
92255 1 0
93256 1 0
93257 1 0
94258 1 0
94259 1 0
95260 1 0
95261 1 0
96262 1 0
98263 1 0
99264 1 0
99265 1 0
102266 1 0
103267 1 0
104268 1 0
104269 1 0
104270 1 0
107271 1 0
108272 1 0
109273 1 0
109274 1 0
110275 1 0
111276 1 0
111277 1 0
111278 1 0
112279 1 0
112280 1 0
112281 1 0
115282 1 0
116283 1 0
117284 1 0
117285 1 0
118286 1 0
119287 1 0
119288 1 0
119289 1 0
120290 1 0
120291 1 0
120292 1 0
123293 1 0
124294 1 0
127295 1 0
128296 1 0
129297 1 0
129298 1 0
129299 1 0
133300 1 0
133301 1 0
134302 1 0
134303 1 0
135304 1 0
135305 1 0
136306 1 0
139307 1 0
140308 1 0
141309 1 0
141310 1 0
142311 1 0
142312 1 0
143313 1 0
143314 1 0
144315 1 0
146316 1 0
147317 1 0
147318 1 0
150319 1 0
151320 1 0
152321 1 0
152322 1 0
152323 1 0
153324 1 0
M END
PDB for HMDB0244392 (Preproatrial natriuretic factor (104-123))HEADER PROTEIN 10-SEP-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-SEP-21 0 HETATM 1 C UNK 0 11.579 1.535 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 11.579 -0.005 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 10.246 -0.775 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 12.913 -0.775 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 12.913 -2.315 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 11.579 -3.085 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 11.579 -4.625 0.000 0.00 0.00 O+0 HETATM 8 N UNK 0 10.246 -2.315 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 8.912 -3.085 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 8.912 -4.625 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 7.578 -5.395 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 7.578 -6.935 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 6.245 -4.625 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 7.578 -2.315 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 7.578 -0.775 0.000 0.00 0.00 O+0 HETATM 16 N UNK 0 6.245 -3.085 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 4.911 -2.315 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 4.911 -0.775 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 3.577 -0.005 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 6.245 -0.005 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 3.577 -3.085 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 3.577 -4.625 0.000 0.00 0.00 O+0 HETATM 23 N UNK 0 2.244 -2.315 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 0.910 -3.085 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 0.910 -4.625 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.424 -2.315 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -0.424 -0.775 0.000 0.00 0.00 O+0 HETATM 28 N UNK 0 -1.757 -3.085 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 -1.918 -4.617 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.425 -4.937 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.195 -3.603 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.164 -2.459 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.484 -0.952 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.340 0.078 0.000 0.00 0.00 O+0 HETATM 35 N UNK 0 -4.949 -0.476 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 -5.269 1.030 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -6.734 1.506 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.054 3.012 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -8.519 3.488 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 -8.839 4.994 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 -10.303 5.470 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 -11.448 4.440 0.000 0.00 0.00 N+0 HETATM 43 N UNK 0 -10.624 6.977 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 -4.125 2.060 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -4.445 3.567 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 -2.660 1.585 0.000 0.00 0.00 O+0 HETATM 47 N UNK 0 14.247 -3.085 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 15.581 -2.315 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 15.581 -0.775 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 16.914 -3.085 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 16.914 -4.625 0.000 0.00 0.00 C+0 HETATM 52 N UNK 0 18.248 -2.315 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 19.582 -3.085 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 19.582 -4.625 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 20.915 -2.315 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 20.915 -0.775 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 22.249 -0.005 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 22.249 1.535 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 23.583 2.305 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 23.583 3.845 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 22.249 4.615 0.000 0.00 0.00 N+0 HETATM 62 N UNK 0 24.916 4.615 0.000 0.00 0.00 N+0 HETATM 63 N UNK 0 22.249 -3.085 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 23.583 -2.315 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 23.583 -0.775 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 24.916 -3.085 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 24.916 -4.625 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 23.583 -5.395 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 23.583 -6.935 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 22.249 -4.625 0.000 0.00 0.00 C+0 HETATM 71 N UNK 0 26.250 -2.315 0.000 0.00 0.00 N+0 HETATM 72 C UNK 0 27.584 -3.085 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 27.584 -4.625 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 28.917 -2.315 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 28.917 -0.775 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 27.584 -0.005 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 27.584 1.535 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 26.250 2.305 0.000 0.00 0.00 C+0 HETATM 79 N UNK 0 26.250 3.845 0.000 0.00 0.00 N+0 HETATM 80 N UNK 0 30.251 -3.085 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 31.585 -2.315 0.000 0.00 0.00 C+0 HETATM 82 O UNK 0 31.585 -0.775 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 32.918 -3.085 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 32.918 -4.625 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 31.585 -5.395 0.000 0.00 0.00 O+0 HETATM 86 N UNK 0 34.252 -2.315 0.000 0.00 0.00 N+0 HETATM 87 C UNK 0 35.586 -3.085 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 35.586 -4.625 0.000 0.00 0.00 O+0 HETATM 89 C UNK 0 36.919 -2.315 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 36.919 -0.775 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 35.586 -0.005 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 35.586 1.535 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 34.252 2.305 0.000 0.00 0.00 C+0 HETATM 94 N UNK 0 34.252 3.845 0.000 0.00 0.00 N+0 HETATM 95 N UNK 0 38.253 -3.085 0.000 0.00 0.00 N+0 HETATM 96 C UNK 0 39.587 -2.315 0.000 0.00 0.00 C+0 HETATM 97 O UNK 0 39.587 -0.775 0.000 0.00 0.00 O+0 HETATM 98 C UNK 0 40.920 -3.085 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 40.920 -4.625 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 39.587 -5.395 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 39.587 -6.935 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 38.253 -4.625 0.000 0.00 0.00 C+0 HETATM 103 N UNK 0 42.254 -2.315 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 43.588 -3.085 0.000 0.00 0.00 C+0 HETATM 105 O UNK 0 43.588 -4.625 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 44.921 -2.315 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 44.921 -0.775 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 43.588 -0.005 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 42.254 -0.775 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 43.588 1.535 0.000 0.00 0.00 C+0 HETATM 111 N UNK 0 46.255 -3.085 0.000 0.00 0.00 N+0 HETATM 112 C UNK 0 47.589 -2.315 0.000 0.00 0.00 C+0 HETATM 113 O UNK 0 47.589 -0.775 0.000 0.00 0.00 O+0 HETATM 114 C UNK 0 48.923 -3.085 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 48.923 -4.625 0.000 0.00 0.00 C+0 HETATM 116 N UNK 0 50.256 -2.315 0.000 0.00 0.00 N+0 HETATM 117 C UNK 0 51.590 -3.085 0.000 0.00 0.00 C+0 HETATM 118 O UNK 0 51.590 -4.625 0.000 0.00 0.00 O+0 HETATM 119 C UNK 0 52.924 -2.315 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 52.924 -0.775 0.000 0.00 0.00 C+0 HETATM 121 O UNK 0 51.590 -0.005 0.000 0.00 0.00 O+0 HETATM 122 N UNK 0 54.257 -3.085 0.000 0.00 0.00 N+0 HETATM 123 C UNK 0 55.591 -2.315 0.000 0.00 0.00 C+0 HETATM 124 O UNK 0 55.591 -0.775 0.000 0.00 0.00 O+0 HETATM 125 C UNK 0 56.925 -3.085 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 56.925 -4.625 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 55.591 -5.395 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 55.591 -6.935 0.000 0.00 0.00 C+0 HETATM 129 N UNK 0 54.257 -7.705 0.000 0.00 0.00 N+0 HETATM 130 C UNK 0 54.257 -9.245 0.000 0.00 0.00 C+0 HETATM 131 N UNK 0 55.591 -10.015 0.000 0.00 0.00 N+0 HETATM 132 N UNK 0 52.924 -10.015 0.000 0.00 0.00 N+0 HETATM 133 N UNK 0 58.258 -2.315 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 59.592 -3.085 0.000 0.00 0.00 C+0 HETATM 135 O UNK 0 59.592 -4.625 0.000 0.00 0.00 O+0 HETATM 136 C UNK 0 60.926 -2.315 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 60.926 -0.775 0.000 0.00 0.00 C+0 HETATM 138 C UNK 0 59.592 -0.005 0.000 0.00 0.00 C+0 HETATM 139 O UNK 0 58.258 -0.775 0.000 0.00 0.00 O+0 HETATM 140 O UNK 0 59.592 1.535 0.000 0.00 0.00 O+0 HETATM 141 N UNK 0 62.259 -3.085 0.000 0.00 0.00 N+0 HETATM 142 C UNK 0 63.593 -2.315 0.000 0.00 0.00 C+0 HETATM 143 O UNK 0 63.593 -0.775 0.000 0.00 0.00 O+0 HETATM 144 C UNK 0 64.927 -3.085 0.000 0.00 0.00 C+0 HETATM 145 C UNK 0 64.927 -4.625 0.000 0.00 0.00 C+0 HETATM 146 O UNK 0 63.593 -5.395 0.000 0.00 0.00 O+0 HETATM 147 N UNK 0 66.260 -2.315 0.000 0.00 0.00 N+0 HETATM 148 C UNK 0 67.594 -3.085 0.000 0.00 0.00 C+0 HETATM 149 O UNK 0 67.594 -4.625 0.000 0.00 0.00 O+0 HETATM 150 C UNK 0 68.928 -2.315 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 70.261 -3.085 0.000 0.00 0.00 C+0 HETATM 152 O UNK 0 71.595 -2.315 0.000 0.00 0.00 O+0 HETATM 153 N UNK 0 68.928 -0.775 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 47 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 14 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 CONECT 14 9 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 21 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 CONECT 21 17 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 CONECT 27 26 CONECT 28 26 29 32 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 28 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 37 44 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 CONECT 44 36 45 46 CONECT 45 44 CONECT 46 44 CONECT 47 5 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 52 CONECT 51 50 CONECT 52 50 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 63 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 CONECT 63 55 64 CONECT 64 63 65 66 CONECT 65 64 CONECT 66 64 67 71 CONECT 67 66 68 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 CONECT 71 66 72 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 75 80 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 CONECT 80 74 81 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 84 86 CONECT 84 83 85 CONECT 85 84 CONECT 86 83 87 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 90 95 CONECT 90 89 91 CONECT 91 90 92 CONECT 92 91 93 CONECT 93 92 94 CONECT 94 93 CONECT 95 89 96 CONECT 96 95 97 98 CONECT 97 96 CONECT 98 96 99 103 CONECT 99 98 100 CONECT 100 99 101 102 CONECT 101 100 CONECT 102 100 CONECT 103 98 104 CONECT 104 103 105 106 CONECT 105 104 CONECT 106 104 107 111 CONECT 107 106 108 CONECT 108 107 109 110 CONECT 109 108 CONECT 110 108 CONECT 111 106 112 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 115 116 CONECT 115 114 CONECT 116 114 117 CONECT 117 116 118 119 CONECT 118 117 CONECT 119 117 120 122 CONECT 120 119 121 CONECT 121 120 CONECT 122 119 123 CONECT 123 122 124 125 CONECT 124 123 CONECT 125 123 126 133 CONECT 126 125 127 CONECT 127 126 128 CONECT 128 127 129 CONECT 129 128 130 CONECT 130 129 131 132 CONECT 131 130 CONECT 132 130 CONECT 133 125 134 CONECT 134 133 135 136 CONECT 135 134 CONECT 136 134 137 141 CONECT 137 136 138 CONECT 138 137 139 140 CONECT 139 138 CONECT 140 138 CONECT 141 136 142 CONECT 142 141 143 144 CONECT 143 142 CONECT 144 142 145 147 CONECT 145 144 146 CONECT 146 145 CONECT 147 144 148 CONECT 148 147 149 150 CONECT 149 148 CONECT 150 148 151 153 CONECT 151 150 152 CONECT 152 151 CONECT 153 150 MASTER 0 0 0 0 0 0 0 0 153 0 306 0 END 3D PDB for HMDB0244392 (Preproatrial natriuretic factor (104-123))COMPND HMDB0244392 HETATM 1 C1 UNL 1 -2.930 -4.841 -3.040 1.00 0.00 C HETATM 2 C2 UNL 1 -1.844 -3.849 -2.672 1.00 0.00 C HETATM 3 C3 UNL 1 -0.529 -4.661 -2.810 1.00 0.00 C HETATM 4 C4 UNL 1 -1.990 -3.441 -1.253 1.00 0.00 C HETATM 5 C5 UNL 1 -3.281 -2.816 -0.843 1.00 0.00 C HETATM 6 N1 UNL 1 -3.155 -2.533 0.593 1.00 0.00 N HETATM 7 C6 UNL 1 -3.586 -3.423 1.575 1.00 0.00 C HETATM 8 O1 UNL 1 -4.115 -4.559 1.283 1.00 0.00 O HETATM 9 C7 UNL 1 -3.427 -3.066 3.041 1.00 0.00 C HETATM 10 C8 UNL 1 -4.699 -2.519 3.616 1.00 0.00 C HETATM 11 N2 UNL 1 -3.147 -4.350 3.727 1.00 0.00 N HETATM 12 C9 UNL 1 -1.911 -4.575 4.346 1.00 0.00 C HETATM 13 O2 UNL 1 -1.056 -3.644 4.309 1.00 0.00 O HETATM 14 C10 UNL 1 -1.561 -5.804 5.019 1.00 0.00 C HETATM 15 C11 UNL 1 -2.398 -7.005 4.508 1.00 0.00 C HETATM 16 O3 UNL 1 -2.171 -8.141 5.243 1.00 0.00 O HETATM 17 N3 UNL 1 -0.148 -6.122 4.893 1.00 0.00 N HETATM 18 C12 UNL 1 0.557 -7.108 5.589 1.00 0.00 C HETATM 19 O4 UNL 1 0.064 -7.881 6.431 1.00 0.00 O HETATM 20 C13 UNL 1 2.031 -7.315 5.348 1.00 0.00 C HETATM 21 C14 UNL 1 2.560 -6.393 4.308 1.00 0.00 C HETATM 22 C15 UNL 1 4.041 -6.558 4.070 1.00 0.00 C HETATM 23 C16 UNL 1 4.480 -5.563 2.986 1.00 0.00 C HETATM 24 N4 UNL 1 3.810 -5.821 1.745 1.00 0.00 N HETATM 25 C17 UNL 1 4.087 -5.003 0.642 1.00 0.00 C HETATM 26 N5 UNL 1 3.224 -4.034 0.368 1.00 0.00 N HETATM 27 N6 UNL 1 5.246 -5.207 -0.152 1.00 0.00 N HETATM 28 N7 UNL 1 2.283 -8.733 5.155 1.00 0.00 N HETATM 29 C18 UNL 1 2.034 -9.327 3.897 1.00 0.00 C HETATM 30 O5 UNL 1 1.600 -8.620 2.911 1.00 0.00 O HETATM 31 C19 UNL 1 2.228 -10.758 3.606 1.00 0.00 C HETATM 32 C20 UNL 1 2.803 -11.499 4.762 1.00 0.00 C HETATM 33 C21 UNL 1 4.130 -11.019 5.149 1.00 0.00 C HETATM 34 O6 UNL 1 4.675 -10.099 4.434 1.00 0.00 O HETATM 35 O7 UNL 1 4.901 -11.438 6.221 1.00 0.00 O HETATM 36 N8 UNL 1 1.122 -11.374 2.957 1.00 0.00 N HETATM 37 C22 UNL 1 -0.159 -10.735 2.812 1.00 0.00 C HETATM 38 O8 UNL 1 -0.424 -9.608 3.242 1.00 0.00 O HETATM 39 C23 UNL 1 -1.291 -11.427 2.100 1.00 0.00 C HETATM 40 C24 UNL 1 -0.957 -11.871 0.718 1.00 0.00 C HETATM 41 O9 UNL 1 0.122 -12.725 0.639 1.00 0.00 O HETATM 42 N9 UNL 1 -2.444 -10.534 2.107 1.00 0.00 N HETATM 43 C25 UNL 1 -3.555 -10.822 2.897 1.00 0.00 C HETATM 44 O10 UNL 1 -3.551 -11.884 3.615 1.00 0.00 O HETATM 45 C26 UNL 1 -4.782 -9.999 2.990 1.00 0.00 C HETATM 46 N10 UNL 1 -4.771 -8.887 2.060 1.00 0.00 N HETATM 47 C27 UNL 1 -6.029 -10.854 2.823 1.00 0.00 C HETATM 48 O11 UNL 1 -6.025 -11.920 3.697 1.00 0.00 O HETATM 49 C28 UNL 1 -3.833 -1.716 -1.601 1.00 0.00 C HETATM 50 O12 UNL 1 -4.118 -0.670 -0.749 1.00 0.00 O HETATM 51 N11 UNL 1 -4.142 -1.437 -2.877 1.00 0.00 N HETATM 52 C29 UNL 1 -4.735 -0.329 -3.549 1.00 0.00 C HETATM 53 C30 UNL 1 -6.200 -0.187 -3.383 1.00 0.00 C HETATM 54 C31 UNL 1 -6.773 1.067 -3.960 1.00 0.00 C HETATM 55 C32 UNL 1 -8.287 1.081 -3.730 1.00 0.00 C HETATM 56 C33 UNL 1 -6.157 2.238 -3.143 1.00 0.00 C HETATM 57 C34 UNL 1 -4.274 -0.230 -4.990 1.00 0.00 C HETATM 58 O13 UNL 1 -3.044 -0.114 -5.115 1.00 0.00 O HETATM 59 N12 UNL 1 -5.225 -0.289 -5.999 1.00 0.00 N HETATM 60 C35 UNL 1 -5.102 -0.158 -7.404 1.00 0.00 C HETATM 61 C36 UNL 1 -5.151 -1.565 -7.980 1.00 0.00 C HETATM 62 C37 UNL 1 -5.050 -1.663 -9.442 1.00 0.00 C HETATM 63 C38 UNL 1 -5.031 -3.146 -9.790 1.00 0.00 C HETATM 64 C39 UNL 1 -6.238 -3.883 -9.309 1.00 0.00 C HETATM 65 N13 UNL 1 -6.172 -5.292 -9.661 1.00 0.00 N HETATM 66 C40 UNL 1 -3.887 0.548 -7.836 1.00 0.00 C HETATM 67 O14 UNL 1 -2.721 0.343 -7.489 1.00 0.00 O HETATM 68 N14 UNL 1 -4.087 1.621 -8.763 1.00 0.00 N HETATM 69 C41 UNL 1 -3.079 2.461 -9.340 1.00 0.00 C HETATM 70 C42 UNL 1 -3.643 3.296 -10.434 1.00 0.00 C HETATM 71 O15 UNL 1 -4.212 2.483 -11.443 1.00 0.00 O HETATM 72 C43 UNL 1 -2.417 3.294 -8.284 1.00 0.00 C HETATM 73 O16 UNL 1 -2.022 2.794 -7.220 1.00 0.00 O HETATM 74 N15 UNL 1 -2.244 4.681 -8.497 1.00 0.00 N HETATM 75 C44 UNL 1 -1.570 5.504 -7.479 1.00 0.00 C HETATM 76 C45 UNL 1 -1.087 6.776 -8.044 1.00 0.00 C HETATM 77 C46 UNL 1 -0.100 6.574 -9.183 1.00 0.00 C HETATM 78 C47 UNL 1 1.105 5.801 -8.745 1.00 0.00 C HETATM 79 C48 UNL 1 1.893 6.437 -7.633 1.00 0.00 C HETATM 80 N16 UNL 1 3.006 5.589 -7.353 1.00 0.00 N HETATM 81 C49 UNL 1 -2.466 5.701 -6.326 1.00 0.00 C HETATM 82 O17 UNL 1 -3.595 5.170 -6.330 1.00 0.00 O HETATM 83 N17 UNL 1 -2.056 6.475 -5.227 1.00 0.00 N HETATM 84 C50 UNL 1 -2.940 6.618 -4.046 1.00 0.00 C HETATM 85 C51 UNL 1 -3.227 8.072 -3.872 1.00 0.00 C HETATM 86 C52 UNL 1 -4.132 8.403 -2.715 1.00 0.00 C HETATM 87 C53 UNL 1 -5.486 7.723 -2.868 1.00 0.00 C HETATM 88 C54 UNL 1 -3.568 8.155 -1.353 1.00 0.00 C HETATM 89 C55 UNL 1 -2.077 6.155 -2.914 1.00 0.00 C HETATM 90 O18 UNL 1 -0.868 6.589 -2.920 1.00 0.00 O HETATM 91 N18 UNL 1 -2.481 5.297 -1.870 1.00 0.00 N HETATM 92 C56 UNL 1 -1.539 4.924 -0.824 1.00 0.00 C HETATM 93 C57 UNL 1 -2.172 4.567 0.448 1.00 0.00 C HETATM 94 C58 UNL 1 -3.129 3.391 0.346 1.00 0.00 C HETATM 95 C59 UNL 1 -3.714 3.177 1.724 1.00 0.00 C HETATM 96 N19 UNL 1 -4.646 2.094 1.733 1.00 0.00 N HETATM 97 C60 UNL 1 -5.326 1.773 2.957 1.00 0.00 C HETATM 98 N20 UNL 1 -5.818 0.606 3.077 1.00 0.00 N HETATM 99 N21 UNL 1 -5.454 2.706 3.995 1.00 0.00 N HETATM 100 C61 UNL 1 -0.537 3.954 -1.360 1.00 0.00 C HETATM 101 O19 UNL 1 -0.694 3.678 -2.636 1.00 0.00 O HETATM 102 N22 UNL 1 0.512 3.329 -0.738 1.00 0.00 N HETATM 103 C62 UNL 1 1.446 2.436 -1.406 1.00 0.00 C HETATM 104 C63 UNL 1 1.487 1.081 -0.727 1.00 0.00 C HETATM 105 C64 UNL 1 2.830 3.069 -1.307 1.00 0.00 C HETATM 106 O20 UNL 1 2.845 4.100 -0.620 1.00 0.00 O HETATM 107 N23 UNL 1 3.914 2.494 -1.948 1.00 0.00 N HETATM 108 C65 UNL 1 5.281 2.879 -2.010 1.00 0.00 C HETATM 109 C66 UNL 1 6.297 1.806 -1.866 1.00 0.00 C HETATM 110 C67 UNL 1 6.281 0.696 -2.858 1.00 0.00 C HETATM 111 C68 UNL 1 6.449 1.181 -4.274 1.00 0.00 C HETATM 112 C69 UNL 1 5.218 -0.301 -2.639 1.00 0.00 C HETATM 113 C70 UNL 1 5.657 4.015 -1.100 1.00 0.00 C HETATM 114 O21 UNL 1 4.909 5.035 -1.067 1.00 0.00 O HETATM 115 N24 UNL 1 6.792 4.042 -0.263 1.00 0.00 N HETATM 116 C71 UNL 1 7.035 5.195 0.598 1.00 0.00 C HETATM 117 C72 UNL 1 8.364 5.739 0.721 1.00 0.00 C HETATM 118 C73 UNL 1 9.483 4.927 1.256 1.00 0.00 C HETATM 119 C74 UNL 1 10.712 5.868 1.248 1.00 0.00 C HETATM 120 C75 UNL 1 9.904 3.729 0.476 1.00 0.00 C HETATM 121 C76 UNL 1 6.228 4.947 1.787 1.00 0.00 C HETATM 122 O22 UNL 1 5.040 4.444 1.479 1.00 0.00 O HETATM 123 N25 UNL 1 6.390 5.108 3.171 1.00 0.00 N HETATM 124 C77 UNL 1 5.296 4.750 4.053 1.00 0.00 C HETATM 125 C78 UNL 1 5.560 3.757 5.124 1.00 0.00 C HETATM 126 O23 UNL 1 6.534 3.911 5.869 1.00 0.00 O HETATM 127 N26 UNL 1 4.679 2.655 5.274 1.00 0.00 N HETATM 128 C79 UNL 1 4.619 1.634 6.215 1.00 0.00 C HETATM 129 C80 UNL 1 6.139 1.628 6.798 1.00 0.00 C HETATM 130 C81 UNL 1 4.382 0.255 5.823 1.00 0.00 C HETATM 131 O24 UNL 1 5.362 -0.575 5.933 1.00 0.00 O HETATM 132 N27 UNL 1 3.159 -0.309 5.309 1.00 0.00 N HETATM 133 C82 UNL 1 2.936 -1.729 5.283 1.00 0.00 C HETATM 134 C83 UNL 1 2.045 -1.942 4.057 1.00 0.00 C HETATM 135 C84 UNL 1 1.142 -0.719 4.212 1.00 0.00 C HETATM 136 C85 UNL 1 2.162 0.371 4.600 1.00 0.00 C HETATM 137 C86 UNL 1 1.455 1.529 4.983 1.00 0.00 C HETATM 138 O25 UNL 1 1.031 2.245 3.939 1.00 0.00 O HETATM 139 N28 UNL 1 1.069 2.146 6.188 1.00 0.00 N HETATM 140 C87 UNL 1 0.335 3.442 6.099 1.00 0.00 C HETATM 141 C88 UNL 1 0.569 4.328 7.237 1.00 0.00 C HETATM 142 C89 UNL 1 -0.155 5.627 7.092 1.00 0.00 C HETATM 143 C90 UNL 1 0.120 6.592 8.266 1.00 0.00 C HETATM 144 N29 UNL 1 -0.613 7.800 7.937 1.00 0.00 N HETATM 145 C91 UNL 1 -2.022 7.897 7.899 1.00 0.00 C HETATM 146 N30 UNL 1 -2.569 8.170 6.744 1.00 0.00 N HETATM 147 N31 UNL 1 -2.897 7.721 8.980 1.00 0.00 N HETATM 148 C92 UNL 1 -1.090 3.025 5.839 1.00 0.00 C HETATM 149 O26 UNL 1 -1.509 1.878 5.794 1.00 0.00 O HETATM 150 O27 UNL 1 -2.028 4.075 5.625 1.00 0.00 O HETATM 151 C93 UNL 1 4.898 6.086 4.731 1.00 0.00 C HETATM 152 C94 UNL 1 3.715 5.862 5.626 1.00 0.00 C HETATM 153 O28 UNL 1 4.556 6.960 3.727 1.00 0.00 O HETATM 154 H1 UNL 1 -3.921 -4.409 -3.098 1.00 0.00 H HETATM 155 H2 UNL 1 -2.601 -5.272 -4.039 1.00 0.00 H HETATM 156 H3 UNL 1 -2.867 -5.695 -2.329 1.00 0.00 H HETATM 157 H4 UNL 1 -1.724 -3.043 -3.391 1.00 0.00 H HETATM 158 H5 UNL 1 0.342 -4.003 -2.830 1.00 0.00 H HETATM 159 H6 UNL 1 -0.625 -5.139 -3.819 1.00 0.00 H HETATM 160 H7 UNL 1 -0.447 -5.402 -2.025 1.00 0.00 H HETATM 161 H8 UNL 1 -1.142 -2.848 -0.857 1.00 0.00 H HETATM 162 H9 UNL 1 -1.920 -4.410 -0.656 1.00 0.00 H HETATM 163 H10 UNL 1 -4.036 -3.698 -0.873 1.00 0.00 H HETATM 164 H11 UNL 1 -2.722 -1.631 0.825 1.00 0.00 H HETATM 165 H12 UNL 1 -2.579 -2.365 3.165 1.00 0.00 H HETATM 166 H13 UNL 1 -4.407 -1.620 4.224 1.00 0.00 H HETATM 167 H14 UNL 1 -5.169 -3.235 4.306 1.00 0.00 H HETATM 168 H15 UNL 1 -5.453 -2.224 2.844 1.00 0.00 H HETATM 169 H16 UNL 1 -3.946 -5.015 3.688 1.00 0.00 H HETATM 170 H17 UNL 1 -1.778 -5.803 6.110 1.00 0.00 H HETATM 171 H18 UNL 1 -2.040 -7.188 3.463 1.00 0.00 H HETATM 172 H19 UNL 1 -3.455 -6.737 4.573 1.00 0.00 H HETATM 173 H20 UNL 1 -2.966 -8.727 5.318 1.00 0.00 H HETATM 174 H21 UNL 1 0.444 -5.543 4.212 1.00 0.00 H HETATM 175 H22 UNL 1 2.543 -7.022 6.307 1.00 0.00 H HETATM 176 H23 UNL 1 2.399 -5.314 4.678 1.00 0.00 H HETATM 177 H24 UNL 1 1.964 -6.497 3.385 1.00 0.00 H HETATM 178 H25 UNL 1 4.641 -6.346 4.963 1.00 0.00 H HETATM 179 H26 UNL 1 4.327 -7.536 3.680 1.00 0.00 H HETATM 180 H27 UNL 1 4.231 -4.534 3.339 1.00 0.00 H HETATM 181 H28 UNL 1 5.564 -5.643 2.885 1.00 0.00 H HETATM 182 H29 UNL 1 3.142 -6.599 1.690 1.00 0.00 H HETATM 183 H30 UNL 1 3.448 -3.432 -0.466 1.00 0.00 H HETATM 184 H31 UNL 1 5.158 -5.537 -1.134 1.00 0.00 H HETATM 185 H32 UNL 1 6.174 -5.010 0.270 1.00 0.00 H HETATM 186 H33 UNL 1 2.644 -9.295 5.930 1.00 0.00 H HETATM 187 H34 UNL 1 3.114 -10.752 2.825 1.00 0.00 H HETATM 188 H35 UNL 1 2.911 -12.609 4.520 1.00 0.00 H HETATM 189 H36 UNL 1 2.100 -11.461 5.625 1.00 0.00 H HETATM 190 H37 UNL 1 4.396 -11.562 7.112 1.00 0.00 H HETATM 191 H38 UNL 1 1.272 -12.345 2.572 1.00 0.00 H HETATM 192 H39 UNL 1 -1.504 -12.315 2.719 1.00 0.00 H HETATM 193 H40 UNL 1 -1.875 -12.399 0.319 1.00 0.00 H HETATM 194 H41 UNL 1 -0.800 -11.022 0.017 1.00 0.00 H HETATM 195 H42 UNL 1 -0.015 -13.340 -0.111 1.00 0.00 H HETATM 196 H43 UNL 1 -2.379 -9.673 1.494 1.00 0.00 H HETATM 197 H44 UNL 1 -4.823 -9.588 4.009 1.00 0.00 H HETATM 198 H45 UNL 1 -4.384 -8.063 2.518 1.00 0.00 H HETATM 199 H46 UNL 1 -4.275 -9.127 1.187 1.00 0.00 H HETATM 200 H47 UNL 1 -6.885 -10.202 2.960 1.00 0.00 H HETATM 201 H48 UNL 1 -6.026 -11.229 1.762 1.00 0.00 H HETATM 202 H49 UNL 1 -5.739 -11.586 4.604 1.00 0.00 H HETATM 203 H50 UNL 1 -3.891 -2.242 -3.608 1.00 0.00 H HETATM 204 H51 UNL 1 -4.323 0.578 -2.962 1.00 0.00 H HETATM 205 H52 UNL 1 -6.794 -1.065 -3.752 1.00 0.00 H HETATM 206 H53 UNL 1 -6.371 -0.083 -2.256 1.00 0.00 H HETATM 207 H54 UNL 1 -6.571 1.312 -4.971 1.00 0.00 H HETATM 208 H55 UNL 1 -8.763 1.560 -4.605 1.00 0.00 H HETATM 209 H56 UNL 1 -8.543 1.649 -2.817 1.00 0.00 H HETATM 210 H57 UNL 1 -8.590 0.011 -3.729 1.00 0.00 H HETATM 211 H58 UNL 1 -6.766 3.129 -3.373 1.00 0.00 H HETATM 212 H59 UNL 1 -6.216 1.942 -2.104 1.00 0.00 H HETATM 213 H60 UNL 1 -5.140 2.410 -3.521 1.00 0.00 H HETATM 214 H61 UNL 1 -6.249 -0.573 -5.682 1.00 0.00 H HETATM 215 H62 UNL 1 -5.961 0.448 -7.822 1.00 0.00 H HETATM 216 H63 UNL 1 -6.159 -1.955 -7.650 1.00 0.00 H HETATM 217 H64 UNL 1 -4.420 -2.206 -7.451 1.00 0.00 H HETATM 218 H65 UNL 1 -4.238 -1.106 -9.926 1.00 0.00 H HETATM 219 H66 UNL 1 -5.996 -1.264 -9.927 1.00 0.00 H HETATM 220 H67 UNL 1 -4.886 -3.269 -10.898 1.00 0.00 H HETATM 221 H68 UNL 1 -4.145 -3.665 -9.335 1.00 0.00 H HETATM 222 H69 UNL 1 -7.146 -3.441 -9.728 1.00 0.00 H HETATM 223 H70 UNL 1 -6.226 -3.866 -8.179 1.00 0.00 H HETATM 224 H71 UNL 1 -6.552 -5.910 -8.897 1.00 0.00 H HETATM 225 H72 UNL 1 -5.158 -5.595 -9.795 1.00 0.00 H HETATM 226 H73 UNL 1 -5.092 1.848 -9.091 1.00 0.00 H HETATM 227 H74 UNL 1 -2.251 1.768 -9.669 1.00 0.00 H HETATM 228 H75 UNL 1 -2.808 3.899 -10.890 1.00 0.00 H HETATM 229 H76 UNL 1 -4.482 3.913 -10.062 1.00 0.00 H HETATM 230 H77 UNL 1 -4.322 1.550 -11.161 1.00 0.00 H HETATM 231 H78 UNL 1 -2.594 5.103 -9.368 1.00 0.00 H HETATM 232 H79 UNL 1 -0.688 4.883 -7.087 1.00 0.00 H HETATM 233 H80 UNL 1 -0.584 7.435 -7.284 1.00 0.00 H HETATM 234 H81 UNL 1 -1.909 7.410 -8.467 1.00 0.00 H HETATM 235 H82 UNL 1 0.208 7.579 -9.502 1.00 0.00 H HETATM 236 H83 UNL 1 -0.622 6.052 -9.999 1.00 0.00 H HETATM 237 H84 UNL 1 1.778 5.702 -9.646 1.00 0.00 H HETATM 238 H85 UNL 1 0.817 4.780 -8.443 1.00 0.00 H HETATM 239 H86 UNL 1 1.292 6.515 -6.707 1.00 0.00 H HETATM 240 H87 UNL 1 2.261 7.434 -7.906 1.00 0.00 H HETATM 241 H88 UNL 1 3.899 6.039 -7.206 1.00 0.00 H HETATM 242 H89 UNL 1 2.794 4.703 -6.869 1.00 0.00 H HETATM 243 H90 UNL 1 -1.154 6.965 -5.174 1.00 0.00 H HETATM 244 H91 UNL 1 -3.833 6.016 -4.149 1.00 0.00 H HETATM 245 H92 UNL 1 -2.282 8.654 -3.685 1.00 0.00 H HETATM 246 H93 UNL 1 -3.659 8.556 -4.779 1.00 0.00 H HETATM 247 H94 UNL 1 -4.287 9.523 -2.794 1.00 0.00 H HETATM 248 H95 UNL 1 -6.268 8.302 -2.393 1.00 0.00 H HETATM 249 H96 UNL 1 -5.415 6.766 -2.258 1.00 0.00 H HETATM 250 H97 UNL 1 -5.732 7.497 -3.898 1.00 0.00 H HETATM 251 H98 UNL 1 -4.126 7.276 -0.927 1.00 0.00 H HETATM 252 H99 UNL 1 -2.483 8.052 -1.325 1.00 0.00 H HETATM 253 HA0 UNL 1 -3.915 9.021 -0.705 1.00 0.00 H HETATM 254 HA1 UNL 1 -3.459 4.931 -1.871 1.00 0.00 H HETATM 255 HA2 UNL 1 -0.907 5.862 -0.689 1.00 0.00 H HETATM 256 HA3 UNL 1 -2.743 5.399 0.905 1.00 0.00 H HETATM 257 HA4 UNL 1 -1.413 4.271 1.216 1.00 0.00 H HETATM 258 HA5 UNL 1 -3.932 3.537 -0.392 1.00 0.00 H HETATM 259 HA6 UNL 1 -2.570 2.469 0.079 1.00 0.00 H HETATM 260 HA7 UNL 1 -4.258 4.121 1.985 1.00 0.00 H HETATM 261 HA8 UNL 1 -2.866 2.978 2.409 1.00 0.00 H HETATM 262 HA9 UNL 1 -4.838 1.536 0.890 1.00 0.00 H HETATM 263 HB0 UNL 1 -6.324 0.223 3.866 1.00 0.00 H HETATM 264 HB1 UNL 1 -5.445 3.727 3.886 1.00 0.00 H HETATM 265 HB2 UNL 1 -5.582 2.360 4.990 1.00 0.00 H HETATM 266 HB3 UNL 1 0.661 3.507 0.305 1.00 0.00 H HETATM 267 HB4 UNL 1 1.237 2.276 -2.470 1.00 0.00 H HETATM 268 HB5 UNL 1 0.890 1.151 0.223 1.00 0.00 H HETATM 269 HB6 UNL 1 1.089 0.260 -1.366 1.00 0.00 H HETATM 270 HB7 UNL 1 2.512 0.835 -0.450 1.00 0.00 H HETATM 271 HB8 UNL 1 3.652 1.609 -2.556 1.00 0.00 H HETATM 272 HB9 UNL 1 5.435 3.393 -3.031 1.00 0.00 H HETATM 273 HC0 UNL 1 6.321 1.397 -0.824 1.00 0.00 H HETATM 274 HC1 UNL 1 7.304 2.320 -2.022 1.00 0.00 H HETATM 275 HC2 UNL 1 7.263 0.130 -2.654 1.00 0.00 H HETATM 276 HC3 UNL 1 7.158 2.029 -4.268 1.00 0.00 H HETATM 277 HC4 UNL 1 6.914 0.361 -4.869 1.00 0.00 H HETATM 278 HC5 UNL 1 5.482 1.473 -4.723 1.00 0.00 H HETATM 279 HC6 UNL 1 5.665 -1.345 -2.648 1.00 0.00 H HETATM 280 HC7 UNL 1 4.756 -0.161 -1.637 1.00 0.00 H HETATM 281 HC8 UNL 1 4.468 -0.353 -3.465 1.00 0.00 H HETATM 282 HC9 UNL 1 7.449 3.264 -0.247 1.00 0.00 H HETATM 283 HD0 UNL 1 6.427 6.040 0.021 1.00 0.00 H HETATM 284 HD1 UNL 1 8.687 6.203 -0.257 1.00 0.00 H HETATM 285 HD2 UNL 1 8.289 6.646 1.416 1.00 0.00 H HETATM 286 HD3 UNL 1 9.343 4.684 2.331 1.00 0.00 H HETATM 287 HD4 UNL 1 11.652 5.312 1.281 1.00 0.00 H HETATM 288 HD5 UNL 1 10.612 6.412 0.260 1.00 0.00 H HETATM 289 HD6 UNL 1 10.579 6.627 2.038 1.00 0.00 H HETATM 290 HD7 UNL 1 9.436 2.794 0.880 1.00 0.00 H HETATM 291 HD8 UNL 1 9.666 3.825 -0.577 1.00 0.00 H HETATM 292 HD9 UNL 1 11.034 3.636 0.572 1.00 0.00 H HETATM 293 HE0 UNL 1 7.253 5.485 3.576 1.00 0.00 H HETATM 294 HE1 UNL 1 4.485 4.376 3.433 1.00 0.00 H HETATM 295 HE2 UNL 1 3.931 2.618 4.488 1.00 0.00 H HETATM 296 HE3 UNL 1 4.124 1.895 7.161 1.00 0.00 H HETATM 297 HE4 UNL 1 6.163 0.654 7.335 1.00 0.00 H HETATM 298 HE5 UNL 1 6.748 1.524 5.911 1.00 0.00 H HETATM 299 HE6 UNL 1 6.262 2.425 7.480 1.00 0.00 H HETATM 300 HE7 UNL 1 3.854 -2.319 5.056 1.00 0.00 H HETATM 301 HE8 UNL 1 2.403 -2.082 6.203 1.00 0.00 H HETATM 302 HE9 UNL 1 2.603 -1.766 3.126 1.00 0.00 H HETATM 303 HF0 UNL 1 1.530 -2.899 4.049 1.00 0.00 H HETATM 304 HF1 UNL 1 0.464 -0.920 5.053 1.00 0.00 H HETATM 305 HF2 UNL 1 0.616 -0.478 3.302 1.00 0.00 H HETATM 306 HF3 UNL 1 2.719 0.611 3.576 1.00 0.00 H HETATM 307 HF4 UNL 1 1.253 1.767 7.135 1.00 0.00 H HETATM 308 HF5 UNL 1 0.631 3.941 5.135 1.00 0.00 H HETATM 309 HF6 UNL 1 1.669 4.612 7.310 1.00 0.00 H HETATM 310 HF7 UNL 1 0.396 3.834 8.226 1.00 0.00 H HETATM 311 HF8 UNL 1 -1.253 5.404 7.159 1.00 0.00 H HETATM 312 HF9 UNL 1 0.110 6.162 6.171 1.00 0.00 H HETATM 313 HG0 UNL 1 -0.261 6.137 9.218 1.00 0.00 H HETATM 314 HG1 UNL 1 1.193 6.804 8.283 1.00 0.00 H HETATM 315 HG2 UNL 1 -0.077 8.672 7.698 1.00 0.00 H HETATM 316 HG3 UNL 1 -3.629 8.262 6.643 1.00 0.00 H HETATM 317 HG4 UNL 1 -2.633 8.104 9.904 1.00 0.00 H HETATM 318 HG5 UNL 1 -3.802 7.218 8.886 1.00 0.00 H HETATM 319 HG6 UNL 1 -1.878 4.668 4.794 1.00 0.00 H HETATM 320 HG7 UNL 1 5.769 6.371 5.320 1.00 0.00 H HETATM 321 HG8 UNL 1 3.488 4.757 5.723 1.00 0.00 H HETATM 322 HG9 UNL 1 2.816 6.333 5.146 1.00 0.00 H HETATM 323 HH0 UNL 1 3.806 6.304 6.637 1.00 0.00 H HETATM 324 HH1 UNL 1 3.669 7.409 3.857 1.00 0.00 H CONECT 1 2 154 155 156 CONECT 2 3 4 157 CONECT 3 158 159 160 CONECT 4 5 161 162 CONECT 5 6 49 163 CONECT 6 7 164 CONECT 7 8 8 9 CONECT 9 10 11 165 CONECT 10 166 167 168 CONECT 11 12 169 CONECT 12 13 13 14 CONECT 14 15 17 170 CONECT 15 16 171 172 CONECT 16 173 CONECT 17 18 174 CONECT 18 19 19 20 CONECT 20 21 28 175 CONECT 21 22 176 177 CONECT 22 23 178 179 CONECT 23 24 180 181 CONECT 24 25 182 CONECT 25 26 26 27 CONECT 26 183 CONECT 27 184 185 CONECT 28 29 186 CONECT 29 30 30 31 CONECT 31 32 36 187 CONECT 32 33 188 189 CONECT 33 34 34 35 CONECT 35 190 CONECT 36 37 191 CONECT 37 38 38 39 CONECT 39 40 42 192 CONECT 40 41 193 194 CONECT 41 195 CONECT 42 43 196 CONECT 43 44 44 45 CONECT 45 46 47 197 CONECT 46 198 199 CONECT 47 48 200 201 CONECT 48 202 CONECT 49 50 50 51 CONECT 51 52 203 CONECT 52 53 57 204 CONECT 53 54 205 206 CONECT 54 55 56 207 CONECT 55 208 209 210 CONECT 56 211 212 213 CONECT 57 58 58 59 CONECT 59 60 214 CONECT 60 61 66 215 CONECT 61 62 216 217 CONECT 62 63 218 219 CONECT 63 64 220 221 CONECT 64 65 222 223 CONECT 65 224 225 CONECT 66 67 67 68 CONECT 68 69 226 CONECT 69 70 72 227 CONECT 70 71 228 229 CONECT 71 230 CONECT 72 73 73 74 CONECT 74 75 231 CONECT 75 76 81 232 CONECT 76 77 233 234 CONECT 77 78 235 236 CONECT 78 79 237 238 CONECT 79 80 239 240 CONECT 80 241 242 CONECT 81 82 82 83 CONECT 83 84 243 CONECT 84 85 89 244 CONECT 85 86 245 246 CONECT 86 87 88 247 CONECT 87 248 249 250 CONECT 88 251 252 253 CONECT 89 90 90 91 CONECT 91 92 254 CONECT 92 93 100 255 CONECT 93 94 256 257 CONECT 94 95 258 259 CONECT 95 96 260 261 CONECT 96 97 262 CONECT 97 98 98 99 CONECT 98 263 CONECT 99 264 265 CONECT 100 101 101 102 CONECT 102 103 266 CONECT 103 104 105 267 CONECT 104 268 269 270 CONECT 105 106 106 107 CONECT 107 108 271 CONECT 108 109 113 272 CONECT 109 110 273 274 CONECT 110 111 112 275 CONECT 111 276 277 278 CONECT 112 279 280 281 CONECT 113 114 114 115 CONECT 115 116 282 CONECT 116 117 121 283 CONECT 117 118 284 285 CONECT 118 119 120 286 CONECT 119 287 288 289 CONECT 120 290 291 292 CONECT 121 122 122 123 CONECT 123 124 293 CONECT 124 125 151 294 CONECT 125 126 126 127 CONECT 127 128 295 CONECT 128 129 130 296 CONECT 129 297 298 299 CONECT 130 131 131 132 CONECT 132 133 136 CONECT 133 134 300 301 CONECT 134 135 302 303 CONECT 135 136 304 305 CONECT 136 137 306 CONECT 137 138 138 139 CONECT 139 140 307 CONECT 140 141 148 308 CONECT 141 142 309 310 CONECT 142 143 311 312 CONECT 143 144 313 314 CONECT 144 145 315 CONECT 145 146 146 147 CONECT 146 316 CONECT 147 317 318 CONECT 148 149 149 150 CONECT 150 319 CONECT 151 152 153 320 CONECT 152 321 322 323 CONECT 153 324 END SMILES for HMDB0244392 (Preproatrial natriuretic factor (104-123))CC(C)CC(NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)CO)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(O)=O INCHI for HMDB0244392 (Preproatrial natriuretic factor (104-123))InChI=1S/C94H171N31O28/c1-45(2)35-60(116-73(134)51(12)108-85(146)66(42-127)122-78(139)58(26-20-32-105-93(100)101)112-83(144)65(40-70(131)132)120-87(148)67(43-128)121-74(135)54(97)41-126)81(142)118-63(38-48(7)8)80(141)110-56(24-16-18-30-96)77(138)123-68(44-129)86(147)113-55(23-15-17-29-95)76(137)117-62(37-47(5)6)79(140)111-57(25-19-31-104-92(98)99)75(136)107-50(11)72(133)115-61(36-46(3)4)82(143)119-64(39-49(9)10)84(145)124-71(53(14)130)89(150)109-52(13)90(151)125-34-22-28-69(125)88(149)114-59(91(152)153)27-21-33-106-94(102)103/h45-69,71,126-130H,15-44,95-97H2,1-14H3,(H,107,136)(H,108,146)(H,109,150)(H,110,141)(H,111,140)(H,112,144)(H,113,147)(H,114,149)(H,115,133)(H,116,134)(H,117,137)(H,118,142)(H,119,143)(H,120,148)(H,121,135)(H,122,139)(H,123,138)(H,124,145)(H,131,132)(H,152,153)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106) 3D Structure for HMDB0244392 (Preproatrial natriuretic factor (104-123)) | 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| Synonyms |
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| Chemical Formula | C94H171N31O28 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 2183.591 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 2182.29098399 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 2-[(1-{2-[2-(2-{2-[2-(2-{2-[6-amino-2-(2-{6-amino-2-[2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-3-hydroxypropanamido]-3-carboxypropanamido}-5-carbamimidamidopentanamido)-3-hydroxypropanamido]propanamido}-4-methylpentanamido)-4-methylpentanamido]hexanamido}-3-hydroxypropanamido)hexanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido)propanamido]-4-methylpentanamido}-4-methylpentanamido)-3-hydroxybutanamido]propanoyl}pyrrolidin-2-yl)formamido]-5-carbamimidamidopentanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 2-[(1-{2-[2-(2-{2-[2-(2-{2-[6-amino-2-(2-{6-amino-2-[2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-3-hydroxypropanamido]-3-carboxypropanamido}-5-carbamimidamidopentanamido)-3-hydroxypropanamido]propanamido}-4-methylpentanamido)-4-methylpentanamido]hexanamido}-3-hydroxypropanamido)hexanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido)propanamido]-4-methylpentanamido}-4-methylpentanamido)-3-hydroxybutanamido]propanoyl}pyrrolidin-2-yl)formamido]-5-carbamimidamidopentanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CC(NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)CO)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C94H171N31O28/c1-45(2)35-60(116-73(134)51(12)108-85(146)66(42-127)122-78(139)58(26-20-32-105-93(100)101)112-83(144)65(40-70(131)132)120-87(148)67(43-128)121-74(135)54(97)41-126)81(142)118-63(38-48(7)8)80(141)110-56(24-16-18-30-96)77(138)123-68(44-129)86(147)113-55(23-15-17-29-95)76(137)117-62(37-47(5)6)79(140)111-57(25-19-31-104-92(98)99)75(136)107-50(11)72(133)115-61(36-46(3)4)82(143)119-64(39-49(9)10)84(145)124-71(53(14)130)89(150)109-52(13)90(151)125-34-22-28-69(125)88(149)114-59(91(152)153)27-21-33-106-94(102)103/h45-69,71,126-130H,15-44,95-97H2,1-14H3,(H,107,136)(H,108,146)(H,109,150)(H,110,141)(H,111,140)(H,112,144)(H,113,147)(H,114,149)(H,115,133)(H,116,134)(H,117,137)(H,118,142)(H,119,143)(H,120,148)(H,121,135)(H,122,139)(H,123,138)(H,124,145)(H,131,132)(H,152,153)(H4,98,99,104)(H4,100,101,105)(H4,102,103,106) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | PBZROVYZANOHJC-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic Polymers | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Polypeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polypeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Process | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
| Show more...|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
NMR Spectra
| Show more...||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biospecimen Locations |
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| Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways | Not Available
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Associated Disorders and Diseases | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemspider ID | 14014019 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 21471122 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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