@MOLECULE tirandamycin b 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.0533 1.2794 -0.0949 O.3 1 UNL1111111111 -0.2744 2 O -3.4289 1.7612 -0.6798 O.3 1 UNL1111111111 -0.4032 3 O -2.6733 0.3039 0.9465 O.3 1 UNL1111111111 -0.4309 4 O -5.0576 -1.3408 1.9831 O.3 1 UNL1111111111 -0.5375 5 O -5.1452 -0.2138 -2.9603 O.2 1 UNL1111111111 -0.3988 6 O 4.1651 1.8381 0.3854 O.2 1 UNL1111111111 -0.4720 7 O 6.7542 2.5475 0.1603 O.2 1 UNL1111111111 -0.5196 8 O 6.0785 -2.0690 -0.3649 O.2 1 UNL1111111111 -0.5372 9 N 7.9264 -0.7333 -0.4214 N.am 1 UNL1111111111 -0.6246 10 C -5.0549 0.5677 0.6350 C.3 1 UNL1111111111 0.0263 11 C -5.6030 0.0452 -0.6547 C.3 1 UNL1111111111 -0.1074 12 C -3.6699 1.2261 0.6094 C.3 1 UNL1111111111 0.4475 13 C -3.3822 0.7956 -1.7033 C.3 1 UNL1111111111 0.0070 14 C -2.3145 -0.2687 -1.3827 C.3 1 UNL1111111111 -0.1879 15 C -4.7624 0.1814 -1.8925 C.2 1 UNL1111111111 0.4098 16 C -2.5372 -0.7955 0.0502 C.3 1 UNL1111111111 0.0946 17 C -5.5421 -0.0094 1.9413 C.3 1 UNL1111111111 -0.0152 18 C -3.4957 2.3967 1.5634 C.3 1 UNL1111111111 -0.4693 19 C -1.3102 -1.5542 0.6000 C.3 1 UNL1111111111 -0.1205 20 C -2.3216 -1.3931 -2.4095 C.3 1 UNL1111111111 -0.4504 21 C -1.5988 -2.0431 2.0238 C.3 1 UNL1111111111 -0.4356 22 C -0.1127 -0.6560 0.6181 C.2 1 UNL1111111111 -0.1218 23 C 1.1498 -1.0599 0.3854 C.2 1 UNL1111111111 -0.0589 24 C 1.5263 -2.4731 0.1029 C.3 1 UNL1111111111 -0.4429 25 C 2.2299 -0.0779 0.3955 C.2 1 UNL1111111111 0.0009 26 C 3.5201 -0.3931 0.1752 C.2 1 UNL1111111111 -0.3032 27 C 4.5803 0.5869 0.1702 C.2 1 UNL1111111111 0.5148 28 C 5.9104 0.3351 -0.0259 C.2 1 UNL1111111111 -0.5699 29 C 6.9337 1.3618 -0.0168 C.2 1 UNL1111111111 0.5225 30 C 6.5551 -0.9610 -0.2787 C.2 1 UNL1111111111 0.6573 31 C 8.2834 0.6847 -0.2734 C.3 1 UNL1111111111 -0.1625 32 H -6.3496 -0.7568 -0.6792 H 1 UNL1111111111 0.1876 33 H -3.0909 1.4057 -2.5941 H 1 UNL1111111111 0.1803 34 H -1.3223 0.2510 -1.4114 H 1 UNL1111111111 0.1709 35 H -3.4520 -1.4260 0.1306 H 1 UNL1111111111 0.1477 36 H -6.6525 -0.0456 1.9694 H 1 UNL1111111111 0.1422 37 H -5.1679 0.5589 2.8124 H 1 UNL1111111111 0.1307 38 H -2.5352 2.9022 1.3741 H 1 UNL1111111111 0.1800 39 H -3.4859 2.0634 2.6090 H 1 UNL1111111111 0.1644 40 H -4.2913 3.1392 1.4241 H 1 UNL1111111111 0.1749 41 H -1.1420 -2.4405 -0.0622 H 1 UNL1111111111 0.1531 42 H -2.3168 -0.9971 -3.4355 H 1 UNL1111111111 0.1646 43 H -1.4375 -2.0355 -2.3113 H 1 UNL1111111111 0.1525 44 H -3.2076 -2.0337 -2.3252 H 1 UNL1111111111 0.1565 45 H -5.1184 -1.6839 2.8967 H 1 UNL1111111111 0.3173 46 H -1.7583 -1.1979 2.7061 H 1 UNL1111111111 0.1604 47 H -2.5084 -2.6565 2.0560 H 1 UNL1111111111 0.1508 48 H -0.7688 -2.6393 2.4170 H 1 UNL1111111111 0.1463 49 H -0.3428 0.3874 0.8467 H 1 UNL1111111111 0.1671 50 H 2.2583 -2.8420 0.8398 H 1 UNL1111111111 0.1669 51 H 1.9883 -2.5710 -0.8928 H 1 UNL1111111111 0.1648 52 H 0.6793 -3.1673 0.1359 H 1 UNL1111111111 0.1505 53 H 1.9337 0.9620 0.5877 H 1 UNL1111111111 0.1630 54 H 3.8554 -1.4236 -0.0192 H 1 UNL1111111111 0.2139 55 H 8.7647 1.0793 -1.1930 H 1 UNL1111111111 0.1692 56 H 8.9780 0.8515 0.5758 H 1 UNL1111111111 0.1685 57 H 4.9332 2.5098 0.3629 H 1 UNL1111111111 0.3896 58 H 8.6097 -1.4369 -0.5905 H 1 UNL1111111111 0.3293 @BOND 1 1 10 1 2 1 11 1 3 2 12 1 4 2 13 1 5 3 12 1 6 3 16 1 7 4 17 1 8 4 45 1 9 5 15 2 10 6 27 1 11 6 57 1 12 7 29 2 13 8 30 2 14 9 30 am 15 9 31 1 16 9 58 1 17 10 11 1 18 10 12 1 19 10 17 1 20 11 15 1 21 11 32 1 22 12 18 1 23 13 14 1 24 13 15 1 25 13 33 1 26 14 16 1 27 14 20 1 28 14 34 1 29 16 19 1 30 16 35 1 31 17 36 1 32 17 37 1 33 18 38 1 34 18 39 1 35 18 40 1 36 19 21 1 37 19 22 1 38 19 41 1 39 20 42 1 40 20 43 1 41 20 44 1 42 21 46 1 43 21 47 1 44 21 48 1 45 22 23 2 46 22 49 1 47 23 24 1 48 23 25 1 49 24 50 1 50 24 51 1 51 24 52 1 52 25 26 2 53 25 53 1 54 26 27 1 55 26 54 1 56 27 28 2 57 28 29 1 58 28 30 1 59 29 31 1 60 31 55 1 61 31 56 1