HMDB0250210 RDKit 3D Isoleucyl-prolyl-arginine-4-nitroanilide 72 73 0 0 0 0 0 0 0 0999 V2000 7.8215 -1.3501 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 -1.7898 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -1.3109 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 0.1871 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 -1.9718 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 -3.4261 0.2362 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 -1.5726 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 -2.2827 0.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 -0.5304 -0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8744 0.2433 -1.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 1.6489 -1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 1.5583 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7193 0.0841 -1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 -0.3280 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.1498 0.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 0.2647 -0.9645 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 -0.0855 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 -0.6265 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 -1.1198 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 -2.3180 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 -3.3861 -0.3372 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0048 -4.1548 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 -5.1989 -1.8205 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3957 -3.9679 -1.0829 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 1.2190 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5407 1.7543 1.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 1.7937 0.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1982 2.9827 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 3.7879 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 4.9354 2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3637 5.2947 1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9211 6.4903 2.2989 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.2301 7.1951 3.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2288 6.8209 1.9704 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.1023 4.4933 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5131 3.3596 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 -0.5539 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2191 -0.8908 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4552 -2.1661 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 -1.4578 2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0507 -2.9026 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 -1.6520 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 0.5218 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8918 0.5868 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 0.5608 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -1.7434 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 -3.5117 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 -3.8497 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 0.0671 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5343 -0.0324 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 2.1215 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 2.2165 -2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 2.2313 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 1.6637 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 0.0083 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 0.9640 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 -0.8081 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6681 -1.5285 -1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 0.1355 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0396 -1.4944 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6843 -0.4123 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -1.9890 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7475 -2.7243 0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -5.0071 -2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9257 -6.1043 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 -3.8076 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -3.9954 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3181 1.3399 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 3.5892 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 5.5383 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1166 4.7837 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1328 2.7593 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 17 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 32 34 1 0 31 35 1 0 35 36 2 0 13 9 1 0 36 28 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 6 47 1 0 6 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 16 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 23 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 27 68 1 0 29 69 1 0 30 70 1 0 35 71 1 0 36 72 1 0 M CHG 2 32 1 34 -1 M END