HMDB0029368 RDKit 3D Saxitoxin 38 40 0 0 0 0 0 0 0 0999 V2000 0.4453 -3.2094 0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 -2.0138 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2855 -1.2328 -0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 0.1733 -0.1511 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2075 1.0938 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 1.0803 0.3367 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 0.2180 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 0.5362 1.6112 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -0.9065 0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 0.4619 -0.9539 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4189 1.8979 -0.7736 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 2.0277 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 3.2460 1.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 0.9048 0.8738 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -0.0989 -0.1320 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0609 -1.4126 0.4002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3407 -1.8527 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -1.5666 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -0.3497 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4054 0.7336 -0.7348 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 -0.5143 -2.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4029 -3.5774 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.7833 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 0.3918 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 1.0237 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7534 2.1456 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 -0.1616 1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 1.4809 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 0.1463 -1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 2.6426 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 3.8297 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 3.5423 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 -1.1616 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 -2.9127 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 -2.4349 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 -1.3989 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 0.4915 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 -1.4802 -2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 4 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 15 14 1 1 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 16 2 1 0 15 10 1 0 19 15 1 0 1 22 1 0 3 23 1 0 4 24 1 1 5 25 1 0 5 26 1 0 8 27 1 0 8 28 1 0 10 29 1 6 11 30 1 0 13 31 1 0 13 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 20 37 1 0 21 38 1 0 M END