@MOLECULE benorterone 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7993 -0.5461 0.1995 O.3 1 UNL1111111111 -0.5702 2 O 5.6942 0.9319 -0.4735 O.2 1 UNL1111111111 -0.4743 3 C -1.4889 0.8276 -0.1031 C.3 1 UNL1111111111 -0.1486 4 C -2.4201 -0.4033 0.1535 C.3 1 UNL1111111111 0.0481 5 C -0.1429 0.5601 0.5413 C.3 1 UNL1111111111 -0.1197 6 C 0.4575 -0.6661 -0.2164 C.3 1 UNL1111111111 -0.1388 7 C 1.9414 -0.6475 0.2267 C.3 1 UNL1111111111 0.0329 8 C -3.7525 0.1413 -0.4521 C.3 1 UNL1111111111 0.3038 9 C -1.8181 -1.6568 -0.4992 C.3 1 UNL1111111111 -0.2897 10 C -0.3833 -1.9161 0.0150 C.3 1 UNL1111111111 -0.2728 11 C -2.3286 2.0265 0.3539 C.3 1 UNL1111111111 -0.2700 12 C 0.9581 1.6314 0.4149 C.3 1 UNL1111111111 -0.3197 13 C -3.7725 1.6492 -0.0511 C.3 1 UNL1111111111 -0.3410 14 C 2.2250 0.8495 0.2266 C.2 1 UNL1111111111 0.1073 15 C -2.6620 -0.6880 1.6441 C.3 1 UNL1111111111 -0.4443 16 C 2.8662 -1.3406 -0.7850 C.3 1 UNL1111111111 -0.2760 17 C 2.1408 -1.2210 1.6305 C.3 1 UNL1111111111 -0.4483 18 C -3.9014 -0.0506 -1.9613 C.3 1 UNL1111111111 -0.5129 19 C 3.4363 1.3568 -0.0158 C.2 1 UNL1111111111 -0.3734 20 C 4.3330 -0.9981 -0.5153 C.3 1 UNL1111111111 -0.3787 21 C 4.5770 0.4869 -0.3427 C.2 1 UNL1111111111 0.4951 22 H -1.3335 0.9311 -1.2075 H 1 UNL1111111111 0.1385 23 H -0.2806 0.3217 1.6202 H 1 UNL1111111111 0.1477 24 H 0.4368 -0.4474 -1.3152 H 1 UNL1111111111 0.1408 25 H -1.7976 -1.5526 -1.5983 H 1 UNL1111111111 0.1368 26 H -2.4606 -2.5314 -0.2879 H 1 UNL1111111111 0.1486 27 H -0.4037 -2.1926 1.0842 H 1 UNL1111111111 0.1447 28 H 0.0542 -2.7823 -0.5130 H 1 UNL1111111111 0.1363 29 H -2.0010 2.9620 -0.1223 H 1 UNL1111111111 0.1352 30 H -2.2459 2.1867 1.4411 H 1 UNL1111111111 0.1423 31 H 0.9987 2.2871 1.3018 H 1 UNL1111111111 0.1616 32 H 0.7761 2.3012 -0.4465 H 1 UNL1111111111 0.1640 33 H -4.4694 1.7982 0.7899 H 1 UNL1111111111 0.1533 34 H -4.1330 2.2808 -0.8735 H 1 UNL1111111111 0.1392 35 H -3.0904 0.1782 2.1589 H 1 UNL1111111111 0.1499 36 H -1.7471 -0.9752 2.1685 H 1 UNL1111111111 0.1384 37 H -3.3844 -1.5086 1.7621 H 1 UNL1111111111 0.1628 38 H 2.5966 -1.0343 -1.8151 H 1 UNL1111111111 0.1455 39 H 2.7153 -2.4355 -0.7502 H 1 UNL1111111111 0.1455 40 H 1.9695 -2.3031 1.6436 H 1 UNL1111111111 0.1500 41 H 1.4530 -0.7690 2.3546 H 1 UNL1111111111 0.1509 42 H 3.1584 -1.0402 1.9969 H 1 UNL1111111111 0.1533 43 H -3.9868 -1.1164 -2.2096 H 1 UNL1111111111 0.1625 44 H -3.0430 0.3552 -2.5076 H 1 UNL1111111111 0.1588 45 H -4.7984 0.4461 -2.3447 H 1 UNL1111111111 0.1491 46 H 3.6489 2.4235 -0.0147 H 1 UNL1111111111 0.1809 47 H 4.9751 -1.3803 -1.3351 H 1 UNL1111111111 0.1712 48 H 4.6960 -1.5164 0.3967 H 1 UNL1111111111 0.1704 49 H -5.6651 -0.3098 -0.1791 H 1 UNL1111111111 0.3131 @BOND 1 1 8 1 2 1 49 1 3 2 21 2 4 3 4 1 5 3 5 1 6 3 11 1 7 3 22 1 8 4 8 1 9 4 9 1 10 4 15 1 11 5 6 1 12 5 12 1 13 5 23 1 14 6 7 1 15 6 10 1 16 6 24 1 17 7 14 1 18 7 16 1 19 7 17 1 20 8 13 1 21 8 18 1 22 9 10 1 23 9 25 1 24 9 26 1 25 10 27 1 26 10 28 1 27 11 13 1 28 11 29 1 29 11 30 1 30 12 14 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 19 2 36 15 35 1 37 15 36 1 38 15 37 1 39 16 20 1 40 16 38 1 41 16 39 1 42 17 40 1 43 17 41 1 44 17 42 1 45 18 43 1 46 18 44 1 47 18 45 1 48 19 21 1 49 19 46 1 50 20 21 1 51 20 47 1 52 20 48 1