@MOLECULE tirandamycin a 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5924 -1.4060 0.5023 O.3 1 UNL1111111111 -0.2971 2 O 4.3565 -0.7597 -0.9169 O.3 1 UNL1111111111 -0.4183 3 O 3.4760 0.4023 0.9011 O.3 1 UNL1111111111 -0.4638 4 O 1.8723 -2.0856 -2.8339 O.2 1 UNL1111111111 -0.3947 5 O -3.1682 -0.6651 1.8883 O.2 1 UNL1111111111 -0.4683 6 O -4.5638 1.3424 -1.7699 O.2 1 UNL1111111111 -0.4691 7 O -5.5717 -1.8065 1.5597 O.2 1 UNL1111111111 -0.5988 8 N -6.7048 -1.0531 -0.2998 N.am 1 UNL1111111111 -0.5865 9 C 2.9263 -1.8856 0.6900 C.3 1 UNL1111111111 0.1132 10 C 2.0941 -2.3108 -0.4831 C.3 1 UNL1111111111 -0.1306 11 C 4.0109 -0.8166 0.4482 C.3 1 UNL1111111111 0.4505 12 C 3.2822 -0.4614 -1.7806 C.3 1 UNL1111111111 0.0082 13 C 2.5090 0.7882 -1.3237 C.3 1 UNL1111111111 -0.1953 14 C 2.3529 -1.6718 -1.8144 C.2 1 UNL1111111111 0.4041 15 C 3.2211 1.3863 -0.0912 C.3 1 UNL1111111111 0.1345 16 C 3.1005 -2.7943 1.8646 C.3 1 UNL1111111111 -0.4591 17 C 5.3351 -1.0416 1.1651 C.3 1 UNL1111111111 -0.4785 18 C 2.3278 2.4115 0.6568 C.3 1 UNL1111111111 -0.1246 19 C 2.4275 1.8090 -2.4543 C.3 1 UNL1111111111 -0.4473 20 C 3.0765 2.9716 1.8707 C.3 1 UNL1111111111 -0.4401 21 C 1.0816 1.7164 1.1075 C.2 1 UNL1111111111 -0.1273 22 C -0.1661 2.0118 0.7078 C.2 1 UNL1111111111 -0.0576 23 C -0.5141 3.1541 -0.1854 C.3 1 UNL1111111111 -0.4380 24 C -1.2590 1.1367 1.1301 C.2 1 UNL1111111111 0.0071 25 C -2.3599 0.9291 0.3855 C.2 1 UNL1111111111 -0.3028 26 C -3.4223 0.0283 0.7802 C.2 1 UNL1111111111 0.5221 27 C -4.6073 -0.1449 0.1147 C.2 1 UNL1111111111 -0.5775 28 C -5.0880 0.5032 -1.0890 C.2 1 UNL1111111111 0.5263 29 C -5.6324 -1.0899 0.5702 C.2 1 UNL1111111111 0.6491 30 C -6.4873 -0.0888 -1.3899 C.3 1 UNL1111111111 -0.1826 31 H 1.6027 -3.2880 -0.5158 H 1 UNL1111111111 0.1863 32 H 3.8033 -0.3195 -2.7568 H 1 UNL1111111111 0.1793 33 H 1.4677 0.4961 -1.0217 H 1 UNL1111111111 0.1804 34 H 4.2011 1.8286 -0.3711 H 1 UNL1111111111 0.1323 35 H 3.2869 -2.2242 2.7876 H 1 UNL1111111111 0.1691 36 H 3.9371 -3.4914 1.7222 H 1 UNL1111111111 0.1635 37 H 2.1965 -3.3953 2.0504 H 1 UNL1111111111 0.1727 38 H 6.0798 -0.3058 0.8256 H 1 UNL1111111111 0.1736 39 H 5.7419 -2.0388 0.9631 H 1 UNL1111111111 0.1664 40 H 5.2215 -0.9103 2.2483 H 1 UNL1111111111 0.1695 41 H 2.1043 3.2484 -0.0481 H 1 UNL1111111111 0.1491 42 H 1.9660 1.3712 -3.3506 H 1 UNL1111111111 0.1619 43 H 1.8130 2.6729 -2.1717 H 1 UNL1111111111 0.1521 44 H 3.4160 2.1857 -2.7420 H 1 UNL1111111111 0.1499 45 H 3.3869 2.1682 2.5531 H 1 UNL1111111111 0.1633 46 H 3.9810 3.5104 1.5707 H 1 UNL1111111111 0.1436 47 H 2.4443 3.6622 2.4404 H 1 UNL1111111111 0.1496 48 H 1.2760 0.8719 1.7787 H 1 UNL1111111111 0.1711 49 H -1.5076 3.5675 0.0472 H 1 UNL1111111111 0.1627 50 H -0.5365 2.8400 -1.2406 H 1 UNL1111111111 0.1617 51 H 0.1957 3.9873 -0.1016 H 1 UNL1111111111 0.1502 52 H -1.1196 0.6222 2.0904 H 1 UNL1111111111 0.1673 53 H -2.5179 1.4299 -0.5797 H 1 UNL1111111111 0.2067 54 H -7.2590 0.7071 -1.3922 H 1 UNL1111111111 0.1652 55 H -6.4988 -0.5836 -2.3822 H 1 UNL1111111111 0.1669 56 H -3.9443 -1.3012 2.1294 H 1 UNL1111111111 0.3991 57 H -7.5360 -1.5946 -0.2238 H 1 UNL1111111111 0.3293 @BOND 1 1 9 1 2 1 10 1 3 2 11 1 4 2 12 1 5 3 11 1 6 3 15 1 7 4 14 2 8 5 26 1 9 5 56 1 10 6 28 2 11 7 29 2 12 8 29 am 13 8 30 1 14 8 57 1 15 9 10 1 16 9 11 1 17 9 16 1 18 10 14 1 19 10 31 1 20 11 17 1 21 12 13 1 22 12 14 1 23 12 32 1 24 13 15 1 25 13 19 1 26 13 33 1 27 15 18 1 28 15 34 1 29 16 35 1 30 16 36 1 31 16 37 1 32 17 38 1 33 17 39 1 34 17 40 1 35 18 20 1 36 18 21 1 37 18 41 1 38 19 42 1 39 19 43 1 40 19 44 1 41 20 45 1 42 20 46 1 43 20 47 1 44 21 22 2 45 21 48 1 46 22 23 1 47 22 24 1 48 23 49 1 49 23 50 1 50 23 51 1 51 24 25 2 52 24 52 1 53 25 26 1 54 25 53 1 55 26 27 2 56 27 28 1 57 27 29 1 58 28 30 1 59 30 54 1 60 30 55 1