HMDB0259961 RDKit 3D Z-Ala-ONp 41 42 0 0 0 0 0 0 0 0999 V2000 1.1990 -0.1396 -2.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -0.6591 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 -0.0188 -1.1964 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.8240 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5857 -2.0811 -0.9757 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8453 -0.2416 -0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0061 -1.0182 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1263 -0.0858 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.3256 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3928 1.1901 1.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1984 1.6482 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0078 1.2686 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9544 0.3936 -1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -0.2989 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6057 0.4521 0.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 -0.8372 -0.6816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -0.6091 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 0.4331 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 0.6444 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 -0.1670 1.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 0.0619 2.7251 N 0 0 0 0 0 4 0 0 0 0 0 0 8.2115 1.0103 2.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 -0.7361 3.7984 O 0 0 0 0 0 1 0 0 0 0 0 0 5.4668 -1.2222 2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 -1.4253 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 0.9642 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -0.4140 -3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -0.5532 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 -1.7532 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 1.0114 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2311 -1.7266 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -1.6004 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7174 -0.0414 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5498 1.4915 2.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0053 2.3262 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6328 1.6225 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7938 0.0880 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 1.0722 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 1.4707 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 -1.8533 2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 -2.2411 1.4039 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 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 2 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 2 0 13 8 1 0 25 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 7 31 1 0 7 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 18 38 1 0 19 39 1 0 24 40 1 0 25 41 1 0 M CHG 2 21 1 23 -1 M END