@MOLECULE pleuromutilin 61 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2538 -0.6873 -0.3028 O.3 1 UNL1111111111 -0.4559 2 O 1.9025 3.3823 -0.3380 O.3 1 UNL1111111111 -0.5536 3 O 2.2748 -2.9484 -1.5970 O.2 1 UNL1111111111 -0.4653 4 O -2.9691 0.2173 1.6397 O.2 1 UNL1111111111 -0.5028 5 O -4.7104 -0.7515 -1.2367 O.3 1 UNL1111111111 -0.5090 6 C 2.1662 -0.1342 0.5200 C.3 1 UNL1111111111 0.0658 7 C 1.4506 -0.8435 -0.6669 C.3 1 UNL1111111111 -0.2746 8 C 0.0295 -1.3707 -0.3803 C.3 1 UNL1111111111 0.0517 9 C 1.6152 1.2708 0.8494 C.3 1 UNL1111111111 -0.1782 10 C 0.0966 -2.2909 0.8663 C.3 1 UNL1111111111 -0.0971 11 C 2.1010 -1.0404 1.7697 C.3 1 UNL1111111111 -0.2963 12 C 3.6464 -0.0767 0.0351 C.3 1 UNL1111111111 -0.2879 13 C -0.9193 -0.1580 -0.1539 C.3 1 UNL1111111111 0.1205 14 C 0.6901 -1.5430 2.0722 C.3 1 UNL1111111111 -0.2894 15 C 2.4809 -1.8820 -1.0887 C.2 1 UNL1111111111 0.4970 16 C 1.3091 2.1060 -0.4214 C.3 1 UNL1111111111 0.1241 17 C 3.8679 -1.3528 -0.7852 C.3 1 UNL1111111111 -0.3937 18 C -0.2138 2.2746 -0.7202 C.3 1 UNL1111111111 0.0099 19 C -0.8330 0.9501 -1.2123 C.3 1 UNL1111111111 -0.3396 20 C -0.4674 -2.1614 -1.5995 C.3 1 UNL1111111111 -0.4596 21 C 2.5796 2.0367 1.7639 C.3 1 UNL1111111111 -0.4303 22 C -1.2515 -2.8925 1.2715 C.3 1 UNL1111111111 -0.4527 23 C -0.3446 3.2965 -1.8688 C.3 1 UNL1111111111 -0.4412 24 C -0.9360 2.8273 0.4784 C.2 1 UNL1111111111 -0.1665 25 C -3.1902 -0.3616 0.6087 C.2 1 UNL1111111111 0.5655 26 C -2.2624 2.9009 0.5833 C.2 1 UNL1111111111 -0.2833 27 C -4.5386 -0.8854 0.1508 C.3 1 UNL1111111111 -0.0743 28 H 1.3888 -0.1369 -1.5374 H 1 UNL1111111111 0.1714 29 H 0.6641 1.1262 1.4246 H 1 UNL1111111111 0.1552 30 H 0.7835 -3.1370 0.6004 H 1 UNL1111111111 0.1489 31 H 2.7702 -1.9126 1.6282 H 1 UNL1111111111 0.1437 32 H 2.5032 -0.5036 2.6496 H 1 UNL1111111111 0.1424 33 H 3.8171 0.8267 -0.5766 H 1 UNL1111111111 0.1530 34 H 4.3443 -0.0017 0.8819 H 1 UNL1111111111 0.1459 35 H -0.8091 0.2490 0.8773 H 1 UNL1111111111 0.1599 36 H 0.0310 -0.7084 2.3779 H 1 UNL1111111111 0.1464 37 H 0.7175 -2.2195 2.9486 H 1 UNL1111111111 0.1410 38 H 1.8350 1.6967 -1.3154 H 1 UNL1111111111 0.1424 39 H 4.4278 -1.1660 -1.7179 H 1 UNL1111111111 0.1702 40 H 4.4579 -2.1081 -0.2364 H 1 UNL1111111111 0.1695 41 H -1.8645 1.1591 -1.5788 H 1 UNL1111111111 0.1727 42 H -0.3009 0.5982 -2.1161 H 1 UNL1111111111 0.1541 43 H -0.3452 -1.5989 -2.5295 H 1 UNL1111111111 0.1435 44 H 0.0842 -3.1056 -1.7192 H 1 UNL1111111111 0.1760 45 H -1.5266 -2.4261 -1.5115 H 1 UNL1111111111 0.1513 46 H 2.0940 2.9096 2.2137 H 1 UNL1111111111 0.1365 47 H 2.9417 1.4130 2.5884 H 1 UNL1111111111 0.1433 48 H 3.4556 2.4020 1.2114 H 1 UNL1111111111 0.1600 49 H -1.8016 -3.2732 0.4046 H 1 UNL1111111111 0.1486 50 H -1.1107 -3.7313 1.9630 H 1 UNL1111111111 0.1413 51 H -1.8874 -2.1590 1.7786 H 1 UNL1111111111 0.1478 52 H 0.1875 2.9640 -2.7660 H 1 UNL1111111111 0.1472 53 H 0.0827 4.2677 -1.5887 H 1 UNL1111111111 0.1580 54 H -1.3927 3.4664 -2.1355 H 1 UNL1111111111 0.1464 55 H -0.2953 3.1961 1.2792 H 1 UNL1111111111 0.1381 56 H 1.4780 3.9329 0.3489 H 1 UNL1111111111 0.3135 57 H -2.7670 3.3001 1.4508 H 1 UNL1111111111 0.1486 58 H -2.9516 2.5572 -0.1723 H 1 UNL1111111111 0.1450 59 H -4.6644 -1.9455 0.4472 H 1 UNL1111111111 0.1498 60 H -5.3639 -0.2770 0.5788 H 1 UNL1111111111 0.1773 61 H -3.9405 -1.1356 -1.7177 H 1 UNL1111111111 0.3277 @BOND 1 1 13 1 2 1 25 1 3 2 16 1 4 2 56 1 5 3 15 2 6 4 25 2 7 5 27 1 8 5 61 1 9 6 7 1 10 6 9 1 11 6 11 1 12 6 12 1 13 7 8 1 14 7 15 1 15 7 28 1 16 8 10 1 17 8 13 1 18 8 20 1 19 9 16 1 20 9 21 1 21 9 29 1 22 10 14 1 23 10 22 1 24 10 30 1 25 11 14 1 26 11 31 1 27 11 32 1 28 12 17 1 29 12 33 1 30 12 34 1 31 13 19 1 32 13 35 1 33 14 36 1 34 14 37 1 35 15 17 1 36 16 18 1 37 16 38 1 38 17 39 1 39 17 40 1 40 18 19 1 41 18 23 1 42 18 24 1 43 19 41 1 44 19 42 1 45 20 43 1 46 20 44 1 47 20 45 1 48 21 46 1 49 21 47 1 50 21 48 1 51 22 49 1 52 22 50 1 53 22 51 1 54 23 52 1 55 23 53 1 56 23 54 1 57 24 26 2 58 24 55 1 59 25 27 1 60 26 57 1 61 26 58 1 62 27 59 1 63 27 60 1