@MOLECULE (+/-)-nisamycin 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8032 4.7033 -0.2961 O.3 1 UNL1111111111 -0.2438 2 O -2.7556 3.4883 2.2250 O.3 1 UNL1111111111 -0.5208 3 O -0.7334 3.3915 -2.5672 O.2 1 UNL1111111111 -0.4099 4 O 0.8775 0.5312 0.8461 O.2 1 UNL1111111111 -0.5200 5 O -7.7805 -5.2656 -1.2948 O.3 1 UNL1111111111 -0.5559 6 O -7.3267 -5.1115 0.8815 O.2 1 UNL1111111111 -0.5124 7 N 0.7448 2.2347 -0.6510 N.am 1 UNL1111111111 -0.5517 8 C -3.3678 3.4326 0.0144 C.3 1 UNL1111111111 -0.0051 9 C -2.6964 3.6831 -1.2922 C.3 1 UNL1111111111 -0.1363 10 C -2.6417 2.6389 1.0955 C.3 1 UNL1111111111 0.2674 11 C -1.2895 3.2243 -1.5105 C.2 1 UNL1111111111 0.4318 12 C -1.2020 2.3268 0.8091 C.2 1 UNL1111111111 -0.2456 13 C -0.5928 2.5528 -0.3672 C.2 1 UNL1111111111 0.0910 14 C -3.3459 1.3432 1.4100 C.2 1 UNL1111111111 -0.1738 15 C 7.2078 -1.1995 -0.0859 C.3 1 UNL1111111111 -0.1256 16 C 7.4124 -2.5780 -0.7426 C.3 1 UNL1111111111 -0.2702 17 C 8.0809 -1.0698 1.1774 C.3 1 UNL1111111111 -0.2700 18 C 8.8910 -2.7747 -1.1005 C.3 1 UNL1111111111 -0.2631 19 C 9.5570 -1.2666 0.8141 C.3 1 UNL1111111111 -0.2635 20 C 9.7646 -2.6368 0.1537 C.3 1 UNL1111111111 -0.2637 21 C 5.7679 -1.0425 0.2882 C.2 1 UNL1111111111 -0.0875 22 C -3.9214 0.5708 0.4813 C.2 1 UNL1111111111 -0.1647 23 C 1.4338 1.2020 -0.0000 C.2 1 UNL1111111111 0.6020 24 C 4.9946 -0.0731 -0.2190 C.2 1 UNL1111111111 -0.2389 25 C -4.6011 -0.6667 0.8299 C.2 1 UNL1111111111 -0.0900 26 C 2.8440 1.0581 -0.3858 C.2 1 UNL1111111111 -0.3377 27 C 3.5966 0.0779 0.1444 C.2 1 UNL1111111111 0.0085 28 C -5.2421 -1.4136 -0.0866 C.2 1 UNL1111111111 -0.1991 29 C -5.9296 -2.6409 0.2723 C.2 1 UNL1111111111 -0.0295 30 C -6.5468 -3.4105 -0.6390 C.2 1 UNL1111111111 -0.2948 31 C -7.2233 -4.6379 -0.2228 C.2 1 UNL1111111111 0.6451 32 H -4.4611 3.4308 0.1025 H 1 UNL1111111111 0.1773 33 H -3.2686 3.8596 -2.2063 H 1 UNL1111111111 0.1864 34 H -0.6679 1.8672 1.6467 H 1 UNL1111111111 0.2002 35 H -3.3466 1.0923 2.4711 H 1 UNL1111111111 0.1655 36 H 7.5213 -0.4089 -0.8134 H 1 UNL1111111111 0.1461 37 H 6.7823 -2.6676 -1.6450 H 1 UNL1111111111 0.1369 38 H 7.0825 -3.3800 -0.0570 H 1 UNL1111111111 0.1404 39 H 7.7747 -1.8159 1.9334 H 1 UNL1111111111 0.1404 40 H 7.9279 -0.0787 1.6420 H 1 UNL1111111111 0.1369 41 H 9.0356 -3.7696 -1.5610 H 1 UNL1111111111 0.1335 42 H 9.2025 -2.0373 -1.8634 H 1 UNL1111111111 0.1371 43 H 9.8956 -0.4617 0.1362 H 1 UNL1111111111 0.1372 44 H 10.1851 -1.1854 1.7206 H 1 UNL1111111111 0.1334 45 H 10.8300 -2.7755 -0.1034 H 1 UNL1111111111 0.1317 46 H 9.5142 -3.4408 0.8733 H 1 UNL1111111111 0.1372 47 H -2.1305 3.2217 2.9337 H 1 UNL1111111111 0.3200 48 H 1.1557 2.6900 -1.4658 H 1 UNL1111111111 0.3334 49 H 5.3918 -1.7763 1.0030 H 1 UNL1111111111 0.1495 50 H -3.9054 0.8355 -0.5782 H 1 UNL1111111111 0.1577 51 H 5.3898 0.6499 -0.9375 H 1 UNL1111111111 0.1619 52 H -4.5671 -0.9601 1.8827 H 1 UNL1111111111 0.1544 53 H 3.2489 1.7815 -1.0897 H 1 UNL1111111111 0.1709 54 H 3.1762 -0.6368 0.8630 H 1 UNL1111111111 0.1677 55 H -5.2710 -1.1266 -1.1381 H 1 UNL1111111111 0.1620 56 H -5.9258 -2.9236 1.3327 H 1 UNL1111111111 0.1689 57 H -6.5803 -3.1812 -1.7042 H 1 UNL1111111111 0.1875 58 H -8.2398 -6.1075 -1.0577 H 1 UNL1111111111 0.3534 @BOND 1 1 8 1 2 1 9 1 3 2 10 1 4 2 47 1 5 3 11 2 6 4 23 2 7 5 31 1 8 5 58 1 9 6 31 2 10 7 13 1 11 7 23 am 12 7 48 1 13 8 9 1 14 8 10 1 15 8 32 1 16 9 11 1 17 9 33 1 18 10 12 1 19 10 14 1 20 11 13 1 21 12 13 2 22 12 34 1 23 14 22 2 24 14 35 1 25 15 16 1 26 15 17 1 27 15 21 1 28 15 36 1 29 16 18 1 30 16 37 1 31 16 38 1 32 17 19 1 33 17 39 1 34 17 40 1 35 18 20 1 36 18 41 1 37 18 42 1 38 19 20 1 39 19 43 1 40 19 44 1 41 20 45 1 42 20 46 1 43 21 24 2 44 21 49 1 45 22 25 1 46 22 50 1 47 23 26 1 48 24 27 1 49 24 51 1 50 25 28 2 51 25 52 1 52 26 27 2 53 26 53 1 54 27 54 1 55 28 29 1 56 28 55 1 57 29 30 2 58 29 56 1 59 30 31 1 60 30 57 1