HMDB0252746 RDKit 3D Gliotoxin 35 38 0 0 0 0 0 0 0 0999 V2000 -3.3316 0.7586 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 0.0427 -0.5446 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 -0.7881 -1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 -1.1424 -2.4734 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -1.2683 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 -1.6891 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 -1.0752 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3002 -1.4912 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2312 -0.6194 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 0.5572 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 1.1022 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 1.5690 1.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 0.2802 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 -0.0591 0.1159 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 0.3793 1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3401 0.9637 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 0.1533 0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 1.1489 1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 0.8319 1.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -1.5617 1.5357 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -2.5142 0.6473 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 1.7173 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2629 0.1617 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 0.9998 -2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 -1.2845 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 -2.7882 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -2.4755 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 -1.0093 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 1.1845 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6768 2.0565 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 2.0145 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 0.7336 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 1.0856 2.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 2.1476 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 -0.1221 1.1006 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 17 2 1 0 14 5 1 0 21 5 1 0 13 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 18 33 1 0 18 34 1 0 19 35 1 0 M END