@MOLECULE zearalenone 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.1823 1.3861 0.5175 O.3 1 UNL11111111 -0.4098 2 O 4.6338 -0.8597 0.2753 O.2 1 UNL11111111 -0.4703 3 O -1.3046 2.7626 -0.4317 O.2 1 UNL11111111 -0.6093 4 O -3.6590 1.8877 -1.0022 O.3 1 UNL11111111 -0.4732 5 O -4.6505 -2.6100 -0.0398 O.3 1 UNL11111111 -0.4613 6 C 2.4763 1.7600 0.2835 C.3 1 UNL11111111 -0.3153 7 C 2.5472 1.3031 -1.1773 C.3 1 UNL11111111 -0.2457 8 C 1.1462 2.4651 0.5638 C.3 1 UNL11111111 0.1542 9 C 3.8448 0.5416 -1.4644 C.3 1 UNL11111111 -0.3945 10 C 3.0170 -1.8760 -1.1451 C.3 1 UNL11111111 -0.3848 11 C 3.8978 -0.7462 -0.6726 C.2 1 UNL11111111 0.4919 12 C 2.7738 -2.9023 -0.0340 C.3 1 UNL11111111 -0.2428 13 C 1.0770 3.0525 1.9670 C.3 1 UNL11111111 -0.4861 14 C 1.8520 -2.3461 1.0614 C.3 1 UNL11111111 -0.2882 15 C -1.9439 0.5184 0.0107 C.ar 1 UNL11111111 -0.4214 16 C 0.4903 -2.0352 0.5387 C.2 1 UNL11111111 -0.0945 17 C -1.6032 -0.7647 0.4920 C.ar 1 UNL11111111 0.2251 18 C -1.0313 1.6498 0.0042 C.2 1 UNL11111111 0.6645 19 C -0.2700 -1.0484 1.0270 C.2 1 UNL11111111 -0.2257 20 C -3.2470 0.7188 -0.5098 C.ar 1 UNL11111111 0.4588 21 C -2.5321 -1.7964 0.4629 C.ar 1 UNL11111111 -0.3757 22 C -3.8150 -1.5495 -0.0531 C.ar 1 UNL11111111 0.4119 23 C -4.1994 -0.3092 -0.5468 C.ar 1 UNL11111111 -0.4704 24 H 2.5927 0.8894 0.9620 H 1 UNL11111111 0.1641 25 H 3.3190 2.4357 0.5226 H 1 UNL11111111 0.1560 26 H 2.4762 2.1785 -1.8532 H 1 UNL11111111 0.1454 27 H 1.6663 0.6720 -1.4142 H 1 UNL11111111 0.1514 28 H 0.9036 3.2229 -0.2149 H 1 UNL11111111 0.1521 29 H 4.7212 1.1728 -1.2059 H 1 UNL11111111 0.1728 30 H 3.9354 0.3305 -2.5466 H 1 UNL11111111 0.1595 31 H 2.0496 -1.4848 -1.5214 H 1 UNL11111111 0.1712 32 H 3.5017 -2.3643 -2.0156 H 1 UNL11111111 0.1636 33 H 3.7453 -3.1950 0.4186 H 1 UNL11111111 0.1575 34 H 2.3443 -3.8273 -0.4619 H 1 UNL11111111 0.1362 35 H 1.8315 3.8330 2.1132 H 1 UNL11111111 0.1561 36 H 0.0932 3.5049 2.1539 H 1 UNL11111111 0.1651 37 H 1.2322 2.2845 2.7349 H 1 UNL11111111 0.1606 38 H 2.3267 -1.4531 1.5227 H 1 UNL11111111 0.1611 39 H 1.7691 -3.0845 1.8890 H 1 UNL11111111 0.1564 40 H 0.1456 -2.6731 -0.2767 H 1 UNL11111111 0.1500 41 H 0.0606 -0.3969 1.8394 H 1 UNL11111111 0.1812 42 H -2.2892 -2.7864 0.8391 H 1 UNL11111111 0.1888 43 H -5.1856 -0.1143 -0.9489 H 1 UNL11111111 0.1910 44 H -2.9219 2.5996 -0.9513 H 1 UNL11111111 0.3881 45 H -5.5453 -2.3946 -0.4065 H 1 UNL11111111 0.3346 @BOND 1 30 9 1 2 32 10 1 3 26 7 1 4 31 10 1 5 9 29 1 6 9 7 1 7 9 11 1 8 27 7 1 9 7 6 1 10 10 11 1 11 10 12 1 12 4 44 1 13 4 20 1 14 43 23 1 15 11 2 2 16 23 20 ar 17 23 22 ar 18 20 15 ar 19 34 12 1 20 3 18 2 21 45 5 1 22 40 16 1 23 28 8 1 24 22 5 1 25 22 21 ar 26 12 33 1 27 12 14 1 28 18 15 1 29 18 1 1 30 15 17 ar 31 6 25 1 32 6 8 1 33 6 24 1 34 21 17 ar 35 21 42 1 36 17 19 1 37 1 8 1 38 16 19 2 39 16 14 1 40 8 13 1 41 19 41 1 42 14 38 1 43 14 39 1 44 13 35 1 45 13 36 1 46 13 37 1