HMDB0041445 RDKit 3D Agrocybenine 33 34 0 0 0 0 0 0 0 0999 V2000 0.4772 2.6251 -1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 1.3021 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 0.4210 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.6316 -0.6663 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 -0.4115 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 0.2399 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4691 -0.8537 -0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 -1.5003 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 -0.8768 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 -1.2591 0.5501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -0.4479 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 -1.2465 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 -0.3130 1.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0778 0.8656 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 1.6403 -0.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 2.5827 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 2.8777 -2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 3.4303 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 1.3509 -1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 1.1483 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 0.5889 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5309 -0.4452 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -1.9452 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -0.3593 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4386 -0.5770 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -2.3452 -0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -1.8465 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0444 -1.1116 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -0.8283 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -2.2982 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -1.3451 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.3163 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 -0.0102 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 2 0 14 2 1 0 9 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 M END