@MOLECULE 12,13-epoxytrichothec-9-en-4-beta-ol 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5370 -0.9016 1.5143 O.3 1 UNL1111111111 -0.3167 2 O 0.3323 -1.6450 -0.6076 O.3 1 UNL1111111111 -0.3985 3 O -3.2051 0.8594 -1.1673 O.3 1 UNL1111111111 -0.5567 4 C -1.0930 0.6842 0.1480 C.3 1 UNL1111111111 -0.0358 5 C -1.3421 -0.6819 0.7758 C.3 1 UNL1111111111 0.0858 6 C 0.4483 0.7937 -0.1024 C.3 1 UNL1111111111 0.0199 7 C -1.0579 -1.6350 -0.3852 C.3 1 UNL1111111111 0.0985 8 C -1.8390 0.5243 -1.2316 C.3 1 UNL1111111111 0.1511 9 C -1.2916 -1.0501 2.2084 C.3 1 UNL1111111111 -0.1594 10 C -1.8314 -0.9898 -1.5473 C.3 1 UNL1111111111 -0.3569 11 C 0.9042 -0.3938 -1.0025 C.3 1 UNL1111111111 0.1010 12 C -1.6496 1.8348 0.9657 C.3 1 UNL1111111111 -0.4558 13 C 1.2258 0.7106 1.2266 C.3 1 UNL1111111111 -0.2794 14 C 0.7796 2.1096 -0.8181 C.3 1 UNL1111111111 -0.4639 15 C 2.3761 -0.6747 -0.9483 C.2 1 UNL1111111111 -0.2559 16 C 2.7423 0.8095 1.0130 C.3 1 UNL1111111111 -0.2880 17 C 3.2060 -0.1403 -0.0461 C.2 1 UNL1111111111 0.0693 18 C 4.6668 -0.4480 -0.0345 C.3 1 UNL1111111111 -0.4656 19 H -1.2925 -2.6979 -0.1997 H 1 UNL1111111111 0.1577 20 H -1.3900 1.1456 -2.0295 H 1 UNL1111111111 0.1170 21 H -1.0502 -2.0652 2.5146 H 1 UNL1111111111 0.1552 22 H -1.1022 -0.3055 2.9763 H 1 UNL1111111111 0.1488 23 H -1.3843 -1.2193 -2.5239 H 1 UNL1111111111 0.1586 24 H -2.8747 -1.3650 -1.5824 H 1 UNL1111111111 0.1853 25 H 0.5917 -0.2087 -2.0584 H 1 UNL1111111111 0.1252 26 H -2.6840 1.6215 1.2830 H 1 UNL1111111111 0.1698 27 H -1.0763 1.9967 1.8869 H 1 UNL1111111111 0.1534 28 H -1.6428 2.7782 0.4090 H 1 UNL1111111111 0.1458 29 H 1.0072 -0.2620 1.7140 H 1 UNL1111111111 0.1579 30 H 0.8927 1.4986 1.9225 H 1 UNL1111111111 0.1360 31 H 0.6634 2.9673 -0.1466 H 1 UNL1111111111 0.1510 32 H 1.8171 2.1131 -1.1764 H 1 UNL1111111111 0.1557 33 H 0.1422 2.2860 -1.6907 H 1 UNL1111111111 0.1456 34 H 2.7141 -1.3866 -1.6964 H 1 UNL1111111111 0.1576 35 H 3.2614 0.6051 1.9723 H 1 UNL1111111111 0.1474 36 H 3.0285 1.8453 0.7378 H 1 UNL1111111111 0.1500 37 H -3.3512 1.7253 -0.7438 H 1 UNL1111111111 0.3168 38 H 4.9151 -1.1217 0.7998 H 1 UNL1111111111 0.1619 39 H 5.2754 0.4585 0.0835 H 1 UNL1111111111 0.1538 40 H 5.0014 -0.9446 -0.9553 H 1 UNL1111111111 0.1566 @BOND 1 1 5 1 2 1 9 1 3 2 7 1 4 2 11 1 5 3 8 1 6 3 37 1 7 4 5 1 8 4 6 1 9 4 8 1 10 4 12 1 11 5 7 1 12 5 9 1 13 6 11 1 14 6 13 1 15 6 14 1 16 7 10 1 17 7 19 1 18 8 10 1 19 8 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 11 15 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 16 1 30 13 29 1 31 13 30 1 32 14 31 1 33 14 32 1 34 14 33 1 35 15 17 2 36 15 34 1 37 16 17 1 38 16 35 1 39 16 36 1 40 17 18 1 41 18 38 1 42 18 39 1 43 18 40 1