@MOLECULE 3,8-dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7105 2.7679 1.3145 O.3 1 UNL1111111111 -0.3071 2 O 0.5747 1.9111 -1.4793 O.3 1 UNL1111111111 -0.3409 3 O -2.7889 -0.0135 0.5240 O.3 1 UNL1111111111 -0.4371 4 O -1.3040 0.5367 -2.5608 O.3 1 UNL1111111111 -0.5053 5 O 0.7040 -2.0426 0.4067 O.3 1 UNL1111111111 -0.4628 6 O 3.8171 -1.3912 0.9332 O.3 1 UNL1111111111 -0.5645 7 O -3.7368 -1.0654 -1.2203 O.2 1 UNL1111111111 -0.5172 8 O -0.1139 -3.2960 -1.2671 O.2 1 UNL1111111111 -0.4868 9 C -0.4845 0.5922 0.8074 C.3 1 UNL1111111111 0.0296 10 C -0.6913 2.0973 0.5883 C.3 1 UNL1111111111 0.0608 11 C 0.9815 0.2805 0.3248 C.3 1 UNL1111111111 -0.0159 12 C -0.7008 2.2137 -0.9413 C.3 1 UNL1111111111 0.0597 13 C -1.5536 0.0287 -0.1908 C.3 1 UNL1111111111 0.0495 14 C -0.3590 3.1931 1.5272 C.3 1 UNL1111111111 -0.1555 15 C -1.6891 1.0795 -1.3281 C.3 1 UNL1111111111 0.0647 16 C 1.5034 1.5059 -0.4928 C.3 1 UNL1111111111 0.0733 17 C -0.7713 0.1277 2.2205 C.3 1 UNL1111111111 -0.4469 18 C 2.0052 0.1426 1.4689 C.3 1 UNL1111111111 -0.3487 19 C 1.0325 -0.9997 -0.5225 C.3 1 UNL1111111111 -0.0470 20 C 3.4550 -0.0213 0.9522 C.3 1 UNL1111111111 0.1457 21 C 2.8116 1.2034 -1.1369 C.2 1 UNL1111111111 -0.2218 22 C 3.7303 0.5320 -0.4331 C.2 1 UNL1111111111 -0.0231 23 C -3.8301 -0.6204 -0.1049 C.2 1 UNL1111111111 0.6311 24 C 5.0908 0.2379 -0.9542 C.3 1 UNL1111111111 -0.4480 25 C 0.1030 -3.1553 -0.0938 C.2 1 UNL1111111111 0.6207 26 C -5.0201 -0.6163 0.7883 C.3 1 UNL1111111111 -0.5092 27 C -0.2021 -4.0937 1.0219 C.3 1 UNL1111111111 -0.5109 28 H -0.9654 3.1992 -1.3583 H 1 UNL1111111111 0.1574 29 H -1.3474 -0.9929 -0.5617 H 1 UNL1111111111 0.1647 30 H 0.0392 2.9831 2.5168 H 1 UNL1111111111 0.1521 31 H -0.1267 4.1920 1.1651 H 1 UNL1111111111 0.1552 32 H -2.7280 1.4681 -1.4052 H 1 UNL1111111111 0.1405 33 H 1.6610 2.3805 0.1959 H 1 UNL1111111111 0.1359 34 H -0.1085 0.5886 2.9598 H 1 UNL1111111111 0.1454 35 H -1.7985 0.3912 2.5220 H 1 UNL1111111111 0.1730 36 H -0.6721 -0.9622 2.3045 H 1 UNL1111111111 0.1586 37 H 1.7588 -0.7336 2.1047 H 1 UNL1111111111 0.1766 38 H 1.9506 1.0199 2.1376 H 1 UNL1111111111 0.1478 39 H 2.0382 -1.2334 -0.9176 H 1 UNL1111111111 0.1500 40 H 0.3523 -0.9768 -1.3985 H 1 UNL1111111111 0.1797 41 H 4.1791 0.4046 1.6879 H 1 UNL1111111111 0.1425 42 H 2.9561 1.5785 -2.1447 H 1 UNL1111111111 0.1773 43 H -1.9190 -0.2071 -2.7825 H 1 UNL1111111111 0.3288 44 H 5.1985 0.4682 -2.0220 H 1 UNL1111111111 0.1540 45 H 5.3448 -0.8288 -0.8207 H 1 UNL1111111111 0.1773 46 H 5.8581 0.8114 -0.4145 H 1 UNL1111111111 0.1546 47 H 3.0698 -1.9398 0.6135 H 1 UNL1111111111 0.3283 48 H -5.2761 0.4055 1.1142 H 1 UNL1111111111 0.1890 49 H -4.8396 -1.2033 1.7021 H 1 UNL1111111111 0.1838 50 H -5.8978 -1.0420 0.2767 H 1 UNL1111111111 0.1865 51 H -0.8896 -3.6397 1.7522 H 1 UNL1111111111 0.1825 52 H 0.7077 -4.3796 1.5722 H 1 UNL1111111111 0.1842 53 H -0.6719 -5.0147 0.6406 H 1 UNL1111111111 0.1874 @BOND 1 1 10 1 2 1 14 1 3 2 12 1 4 2 16 1 5 3 13 1 6 3 23 1 7 4 15 1 8 4 43 1 9 5 19 1 10 5 25 1 11 6 20 1 12 6 47 1 13 7 23 2 14 8 25 2 15 9 10 1 16 9 11 1 17 9 13 1 18 9 17 1 19 10 12 1 20 10 14 1 21 11 16 1 22 11 18 1 23 11 19 1 24 12 15 1 25 12 28 1 26 13 15 1 27 13 29 1 28 14 30 1 29 14 31 1 30 15 32 1 31 16 21 1 32 16 33 1 33 17 34 1 34 17 35 1 35 17 36 1 36 18 20 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 20 22 1 42 20 41 1 43 21 22 2 44 21 42 1 45 22 24 1 46 23 26 1 47 24 44 1 48 24 45 1 49 24 46 1 50 25 27 1 51 26 48 1 52 26 49 1 53 26 50 1 54 27 51 1 55 27 52 1 56 27 53 1