HMDB0003134 RDKit 3D Biocytin 53 54 0 0 0 0 0 0 0 0999 V2000 6.8154 2.4123 1.2443 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7651 1.4195 0.8819 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2941 1.8636 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 0.9503 -1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 1.4861 -2.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 0.7967 -3.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 0.5973 -2.6338 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 -0.1888 -1.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 -0.8522 -0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.2617 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 -1.1606 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 -1.2583 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 0.0490 0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0329 0.0707 1.3161 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3334 -0.9297 2.8327 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 -1.2470 2.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3675 -0.4408 1.2758 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2323 -1.2502 0.4301 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3907 -2.2970 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7935 -3.2832 -0.7188 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 -1.9774 0.3223 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -0.5346 0.4412 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4125 0.0827 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6742 -0.0320 0.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6156 -1.0383 0.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3805 3.3371 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5736 2.2721 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9541 1.4297 1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 2.9070 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 1.8249 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3309 1.1740 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4342 -0.0948 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 2.5904 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 1.4957 -2.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 -0.2248 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 1.3450 -4.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6238 1.1077 -3.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 0.7659 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 -0.6351 -2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 -2.2024 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -0.9084 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 -2.0394 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -1.6371 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4741 0.8377 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 0.4284 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3739 1.1245 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7344 -0.8899 3.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2169 -2.3219 2.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7024 0.5766 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2410 -1.1012 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 -2.7034 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 -0.0717 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 -1.3630 1.4257 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 2 23 1 0 23 24 2 0 23 25 1 0 22 14 1 0 22 17 1 0 1 26 1 0 1 27 1 0 2 28 1 1 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 1 16 47 1 0 16 48 1 0 17 49 1 1 18 50 1 0 21 51 1 0 22 52 1 6 25 53 1 0 M END