HMDB0033504 RDKit 3D AF Toxin II 47 47 0 0 0 0 0 0 0 0999 V2000 -5.5798 -0.9993 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 -0.3215 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1616 1.0558 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2973 1.9211 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 1.7082 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 1.8649 -1.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 0.8742 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8475 0.5625 1.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 0.4521 -0.2448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3262 -0.3404 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 0.0484 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5489 0.8336 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 1.7271 -0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 1.6090 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1845 0.5175 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 0.2919 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7467 -0.8179 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7391 -1.5509 2.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 -1.0928 2.2629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 -1.7567 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 -2.5163 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8442 -1.8775 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 -2.4743 -0.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4967 -0.4198 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 -1.9866 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 -1.2070 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 -0.9330 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -0.2787 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2614 1.0153 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3213 1.9785 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2919 1.5908 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 2.9872 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8282 2.6794 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 1.0568 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.4735 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.7100 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 1.5529 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 2.5705 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 2.3095 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 -0.1679 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1776 0.9760 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6236 -0.4337 2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 -2.0866 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -3.5834 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -2.6214 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 -1.0001 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 -2.5339 -2.2256 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 10 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 20 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 19 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 M END