HMDB0030401 RDKit 3D AK toxin I 57 58 0 0 0 0 0 0 0 0999 V2000 -3.5405 -1.6312 3.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 -0.6989 2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 0.3317 2.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4684 -0.9004 0.8983 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 0.0257 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -0.5480 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 -1.7530 -0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 0.1455 -1.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 -0.4859 -1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 0.2947 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 0.0346 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 0.8509 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 0.6158 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 -0.4821 2.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0966 -0.7254 3.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 -1.8192 4.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -1.9855 4.9684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 -2.6676 3.8583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -0.6317 -3.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -1.7763 -3.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.1814 -3.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 0.5155 -3.8668 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 0.5966 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7859 1.5859 -1.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 1.2354 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 0.8713 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1633 1.4707 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0411 2.4458 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7823 2.8093 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6235 2.2113 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 -2.2242 3.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -1.1258 3.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -2.3459 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 -1.7398 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 0.8613 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 -1.5370 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2001 1.1416 -1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 -0.7967 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 1.6774 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 1.2242 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.1569 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -0.0665 3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1779 -2.8339 4.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 -1.8736 -4.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 -2.7291 -3.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -1.5622 -3.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 0.4300 -3.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 -0.7755 -4.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -0.2032 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 2.4073 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 1.1382 -2.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9618 2.0514 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1575 0.1092 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1271 1.1603 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9466 2.8879 1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6973 3.5722 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 2.5553 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 9 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 5 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 22 19 1 0 30 25 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 5 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 18 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 24 50 1 0 24 51 1 0 24 52 1 0 26 53 1 0 27 54 1 0 28 55 1 0 29 56 1 0 30 57 1 0 M END