@MOLECULE izonsteride 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.1671 -2.7107 0.6680 S.3 1 UNL1111111111 0.1471 2 S 4.9680 -1.5745 -0.0781 S.2 1 UNL1111111111 0.1571 3 O -7.2837 0.7317 -0.2962 O.2 1 UNL1111111111 -0.5602 4 N -5.1422 1.1085 0.3074 N.am 1 UNL1111111111 -0.4974 5 N 2.8476 -0.1091 0.3711 N.ar 1 UNL1111111111 -0.3870 6 C -3.3391 -0.4100 -0.5110 C.3 1 UNL1111111111 0.0423 7 C -3.8375 0.5129 0.6480 C.3 1 UNL1111111111 0.0747 8 C -4.4086 -1.5091 -0.6709 C.3 1 UNL1111111111 -0.2858 9 C -2.7688 1.5800 0.9392 C.3 1 UNL1111111111 -0.2945 10 C -1.9939 -0.9960 -0.1425 C.ar 1 UNL1111111111 -0.0130 11 C -1.5281 0.8883 1.5084 C.3 1 UNL1111111111 -0.2767 12 C -3.1435 0.3584 -1.8271 C.3 1 UNL1111111111 -0.4477 13 C -5.7521 -0.9043 -1.0609 C.3 1 UNL1111111111 -0.3488 14 C -1.1540 -0.3650 0.7795 C.ar 1 UNL1111111111 -0.0156 15 C -6.1288 0.3441 -0.2991 C.2 1 UNL1111111111 0.5838 16 C -1.5442 -2.1503 -0.7937 C.ar 1 UNL1111111111 -0.1744 17 C -5.5847 2.2436 1.1280 C.3 1 UNL1111111111 -0.2356 18 C 0.1080 -0.9046 1.0548 C.ar 1 UNL1111111111 -0.1153 19 C -0.2797 -2.6707 -0.5454 C.ar 1 UNL1111111111 -0.1275 20 C 0.5465 -2.0379 0.3827 C.ar 1 UNL1111111111 -0.1169 21 C 3.2268 -1.3522 0.3445 C.ar 1 UNL1111111111 0.0072 22 C 3.8799 0.7831 0.0371 C.ar 1 UNL1111111111 0.0785 23 C 5.1271 0.1695 -0.2341 C.ar 1 UNL1111111111 -0.1673 24 C 3.7287 2.1767 -0.0416 C.ar 1 UNL1111111111 0.0410 25 C 2.4064 2.8195 0.2318 C.3 1 UNL1111111111 -0.2513 26 C 6.2369 0.9319 -0.5716 C.ar 1 UNL1111111111 -0.1445 27 C 4.8507 2.9246 -0.3860 C.ar 1 UNL1111111111 -0.1809 28 C 6.0846 2.3128 -0.6448 C.ar 1 UNL1111111111 -0.1297 29 C 1.4325 2.5500 -0.9195 C.3 1 UNL1111111111 -0.4260 30 H -3.9650 -0.1210 1.5690 H 1 UNL1111111111 0.1327 31 H -4.4979 -2.0823 0.2729 H 1 UNL1111111111 0.1493 32 H -4.1041 -2.2485 -1.4369 H 1 UNL1111111111 0.1508 33 H -3.1332 2.3344 1.6596 H 1 UNL1111111111 0.1461 34 H -2.5233 2.1412 0.0178 H 1 UNL1111111111 0.1587 35 H -1.6891 0.6481 2.5824 H 1 UNL1111111111 0.1547 36 H -0.6732 1.6016 1.4912 H 1 UNL1111111111 0.1635 37 H -2.2426 0.9841 -1.7963 H 1 UNL1111111111 0.1559 38 H -3.0319 -0.3259 -2.6749 H 1 UNL1111111111 0.1494 39 H -3.9916 1.0219 -2.0362 H 1 UNL1111111111 0.1623 40 H -6.5671 -1.6501 -0.9307 H 1 UNL1111111111 0.1767 41 H -5.7662 -0.6505 -2.1447 H 1 UNL1111111111 0.1764 42 H -2.1800 -2.6441 -1.5279 H 1 UNL1111111111 0.1553 43 H -5.4530 2.0530 2.2047 H 1 UNL1111111111 0.1320 44 H -6.6611 2.4540 0.9543 H 1 UNL1111111111 0.1816 45 H -5.0282 3.1512 0.8390 H 1 UNL1111111111 0.1423 46 H 0.7530 -0.3995 1.7806 H 1 UNL1111111111 0.1787 47 H 0.0524 -3.5559 -1.0893 H 1 UNL1111111111 0.1620 48 H 1.9829 2.4147 1.1776 H 1 UNL1111111111 0.1586 49 H 2.5160 3.9102 0.3904 H 1 UNL1111111111 0.1430 50 H 7.2015 0.4712 -0.7773 H 1 UNL1111111111 0.1650 51 H 4.7716 4.0090 -0.4602 H 1 UNL1111111111 0.1610 52 H 6.9395 2.9347 -0.9109 H 1 UNL1111111111 0.1575 53 H 1.8422 2.8824 -1.8792 H 1 UNL1111111111 0.1462 54 H 0.4780 3.0614 -0.7608 H 1 UNL1111111111 0.1427 55 H 1.2215 1.4741 -1.0084 H 1 UNL1111111111 0.1619 @BOND 1 1 20 1 2 1 21 1 3 2 21 ar 4 2 23 ar 5 3 15 2 6 4 7 1 7 4 15 am 8 4 17 1 9 5 21 ar 10 5 22 ar 11 6 7 1 12 6 8 1 13 6 10 1 14 6 12 1 15 7 9 1 16 7 30 1 17 8 13 1 18 8 31 1 19 8 32 1 20 9 11 1 21 9 33 1 22 9 34 1 23 10 14 ar 24 10 16 ar 25 11 14 1 26 11 35 1 27 11 36 1 28 12 37 1 29 12 38 1 30 12 39 1 31 13 15 1 32 13 40 1 33 13 41 1 34 14 18 ar 35 16 19 ar 36 16 42 1 37 17 43 1 38 17 44 1 39 17 45 1 40 18 20 ar 41 18 46 1 42 19 20 ar 43 19 47 1 44 22 23 ar 45 22 24 ar 46 23 26 ar 47 24 25 1 48 24 27 ar 49 25 29 1 50 25 48 1 51 25 49 1 52 26 28 ar 53 26 50 1 54 27 28 ar 55 27 51 1 56 28 52 1 57 29 53 1 58 29 54 1 59 29 55 1