@MOLECULE 3alpha,4beta,15-triacetoxy-12,13-epoxytrichothec-9-ene 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9561 -1.3890 2.4777 O.3 1 UNL1111111111 -0.3047 2 O -0.8340 1.8287 1.1350 O.3 1 UNL1111111111 -0.3824 3 O -2.2729 -1.8811 -0.5741 O.3 1 UNL1111111111 -0.4300 4 O -1.9511 1.4221 -1.1282 O.3 1 UNL1111111111 -0.4450 5 O 2.5950 -1.5881 0.3843 O.3 1 UNL1111111111 -0.4171 6 O -1.1622 -2.8874 -2.2574 O.2 1 UNL1111111111 -0.5171 7 O -3.1394 2.9591 0.0114 O.2 1 UNL1111111111 -0.5034 8 O 4.6347 -0.6750 0.0854 O.2 1 UNL1111111111 -0.5268 9 C -0.3263 -0.9408 0.5683 C.3 1 UNL1111111111 0.0088 10 C -1.1441 -0.4648 1.7716 C.3 1 UNL1111111111 0.0669 11 C 0.8604 0.0792 0.4194 C.3 1 UNL1111111111 -0.0253 12 C -1.7963 0.8090 1.2559 C.3 1 UNL1111111111 0.0436 13 C -1.3730 -0.7781 -0.5856 C.3 1 UNL1111111111 0.0778 14 C -2.2661 0.4213 -0.1775 C.3 1 UNL1111111111 0.0632 15 C -0.8892 -0.7588 3.2002 C.3 1 UNL1111111111 -0.1518 16 C 0.5310 1.4103 1.1741 C.3 1 UNL1111111111 0.1028 17 C 0.0962 -2.3924 0.6754 C.3 1 UNL1111111111 -0.4479 18 C 1.1852 0.3786 -1.0510 C.3 1 UNL1111111111 -0.2815 19 C 2.1321 -0.4587 1.1204 C.3 1 UNL1111111111 -0.0459 20 C 1.2529 2.6189 0.6604 C.2 1 UNL1111111111 -0.2769 21 C 2.3250 1.3923 -1.2112 C.3 1 UNL1111111111 -0.3032 22 C 2.0606 2.6217 -0.4054 C.2 1 UNL1111111111 0.0830 23 C -2.0685 -2.8856 -1.4661 C.2 1 UNL1111111111 0.6380 24 C 2.7781 3.8512 -0.8509 C.3 1 UNL1111111111 -0.4669 25 C -2.3153 2.7045 -0.8242 C.2 1 UNL1111111111 0.6624 26 C 3.8574 -1.5742 -0.1087 C.2 1 UNL1111111111 0.6320 27 C -3.1292 -3.9158 -1.2836 C.3 1 UNL1111111111 -0.5109 28 C -1.5638 3.6381 -1.7079 C.3 1 UNL1111111111 -0.5141 29 C 4.0902 -2.8256 -0.8847 C.3 1 UNL1111111111 -0.5136 30 H -2.5957 1.2489 1.8818 H 1 UNL1111111111 0.1771 31 H -0.9273 -0.6731 -1.5946 H 1 UNL1111111111 0.1734 32 H -3.3505 0.2021 -0.2284 H 1 UNL1111111111 0.1635 33 H -0.0834 -1.4218 3.5046 H 1 UNL1111111111 0.1511 34 H -1.2050 -0.0665 3.9779 H 1 UNL1111111111 0.1570 35 H 0.7529 1.2759 2.2659 H 1 UNL1111111111 0.1265 36 H 0.7924 -2.5798 1.5004 H 1 UNL1111111111 0.1551 37 H 0.5830 -2.7333 -0.2498 H 1 UNL1111111111 0.1684 38 H -0.7708 -3.0432 0.8629 H 1 UNL1111111111 0.1620 39 H 0.2883 0.8075 -1.5517 H 1 UNL1111111111 0.1678 40 H 1.4316 -0.5610 -1.5814 H 1 UNL1111111111 0.1526 41 H 1.9235 -0.8538 2.1304 H 1 UNL1111111111 0.1354 42 H 2.9136 0.3228 1.1943 H 1 UNL1111111111 0.1599 43 H 1.0451 3.5210 1.2327 H 1 UNL1111111111 0.1626 44 H 2.4482 1.6381 -2.2854 H 1 UNL1111111111 0.1506 45 H 3.3003 0.9509 -0.9074 H 1 UNL1111111111 0.1736 46 H 3.8648 3.6823 -0.8953 H 1 UNL1111111111 0.1624 47 H 2.6148 4.7069 -0.1819 H 1 UNL1111111111 0.1558 48 H 2.4566 4.1595 -1.8559 H 1 UNL1111111111 0.1574 49 H -3.6031 -3.8599 -0.2894 H 1 UNL1111111111 0.1901 50 H -2.7164 -4.9281 -1.4100 H 1 UNL1111111111 0.1822 51 H -3.9261 -3.7866 -2.0335 H 1 UNL1111111111 0.1866 52 H -1.4643 3.2555 -2.7338 H 1 UNL1111111111 0.1816 53 H -2.0472 4.6246 -1.7451 H 1 UNL1111111111 0.1794 54 H -0.5396 3.7747 -1.3122 H 1 UNL1111111111 0.1944 55 H 4.3050 -3.6715 -0.2133 H 1 UNL1111111111 0.1843 56 H 4.9492 -2.7108 -1.5637 H 1 UNL1111111111 0.1841 57 H 3.2109 -3.1082 -1.4870 H 1 UNL1111111111 0.1911 @BOND 1 1 10 1 2 1 15 1 3 2 12 1 4 2 16 1 5 3 13 1 6 3 23 1 7 4 14 1 8 4 25 1 9 5 19 1 10 5 26 1 11 6 23 2 12 7 25 2 13 8 26 2 14 9 10 1 15 9 11 1 16 9 13 1 17 9 17 1 18 10 12 1 19 10 15 1 20 11 16 1 21 11 18 1 22 11 19 1 23 12 14 1 24 12 30 1 25 13 14 1 26 13 31 1 27 14 32 1 28 15 33 1 29 15 34 1 30 16 20 1 31 16 35 1 32 17 36 1 33 17 37 1 34 17 38 1 35 18 21 1 36 18 39 1 37 18 40 1 38 19 41 1 39 19 42 1 40 20 22 2 41 20 43 1 42 21 22 1 43 21 44 1 44 21 45 1 45 22 24 1 46 23 27 1 47 24 46 1 48 24 47 1 49 24 48 1 50 25 28 1 51 26 29 1 52 27 49 1 53 27 50 1 54 27 51 1 55 28 52 1 56 28 53 1 57 28 54 1 58 29 55 1 59 29 56 1 60 29 57 1