HMDB0252743 RDKit 3D Glemanserin 47 49 0 0 0 0 0 0 0 0999 V2000 2.6218 -1.3311 -1.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 0.0638 -1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 0.5106 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 0.0504 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1414 0.4441 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 1.3129 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9521 1.7746 1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7828 1.3794 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2471 0.3010 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 -0.1921 -1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -0.0496 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 -1.0610 0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -1.9273 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 -1.3797 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 -0.2609 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7785 1.0535 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 2.0943 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 1.7703 -0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 0.4590 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8616 -0.5377 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2249 -1.6306 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -0.4966 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 -1.5704 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 0.5143 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 -0.6412 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 0.1010 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1104 1.6114 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 2.4518 2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8335 1.7297 0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 1.3413 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 0.5371 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -1.2116 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 -0.0690 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0806 0.9697 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3983 -2.3619 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 -2.8379 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2226 -2.1837 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 -1.0806 2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 1.2996 1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 3.1060 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6322 2.5926 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1141 0.2668 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0896 -1.5677 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2631 -2.1459 1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 -2.3743 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -0.9554 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9556 0.1311 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 2 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 12 21 1 0 21 22 1 0 8 3 1 0 22 9 1 0 20 15 1 0 1 23 1 0 2 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 M END