@MOLECULE hydroxyfumigatin 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4723 -0.3608 0.3753 O.2 1 UNL1111111111 -0.2364 2 O 1.4815 2.4576 0.0074 O.2 1 UNL1111111111 -0.4098 3 O -0.8943 -2.5095 0.0597 O.2 1 UNL1111111111 -0.3738 4 O 1.7785 -2.2283 -0.0818 O.2 1 UNL1111111111 -0.4059 5 O -1.1865 2.1948 0.1027 O.2 1 UNL1111111111 -0.4065 6 C 1.7424 0.1439 -0.0355 C.2 1 UNL1111111111 -0.1855 7 C 0.9393 1.2271 0.0192 C.2 1 UNL1111111111 0.1598 8 C -1.1459 -0.1873 0.1264 C.2 1 UNL1111111111 -0.0499 9 C 1.1498 -1.1966 -0.0270 C.2 1 UNL1111111111 0.4157 10 C -0.3499 -1.2826 0.0491 C.2 1 UNL1111111111 0.1092 11 C -0.5642 1.1584 0.0872 C.2 1 UNL1111111111 0.3869 12 C 3.2203 0.2235 -0.1019 C.3 1 UNL1111111111 -0.4019 13 C -3.3338 0.3321 -0.5296 C.3 1 UNL1111111111 -0.2210 14 H 3.6849 -0.1994 0.8042 H 1 UNL1111111111 0.1651 15 H 3.5848 1.2573 -0.2035 H 1 UNL1111111111 0.1661 16 H 3.6176 -0.3512 -0.9546 H 1 UNL1111111111 0.1650 17 H 0.7658 3.1627 0.0531 H 1 UNL1111111111 0.3488 18 H -3.0929 0.1001 -1.5691 H 1 UNL1111111111 0.1325 19 H -3.3029 1.4111 -0.3434 H 1 UNL1111111111 0.1511 20 H -4.3165 -0.0764 -0.2610 H 1 UNL1111111111 0.1497 21 H -0.1709 -3.2109 0.0319 H 1 UNL1111111111 0.3409 @BOND 1 1 8 1 2 1 13 1 3 2 7 1 4 2 17 1 5 3 10 1 6 3 21 1 7 4 9 2 8 5 11 2 9 6 7 2 10 6 9 1 11 6 12 1 12 7 11 1 13 8 10 2 14 8 11 1 15 9 10 1 16 12 14 1 17 12 15 1 18 12 16 1 19 13 18 1 20 13 19 1 21 13 20 1