@MOLECULE tirandamycin a 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.2666 1.1541 -0.1603 O.3 1 UNL1111111111 -0.2718 2 O -3.6382 1.4886 -0.8711 O.3 1 UNL1111111111 -0.3988 3 O -2.8857 0.4109 1.0396 O.3 1 UNL1111111111 -0.4449 4 O -5.3878 -0.9398 -2.6420 O.2 1 UNL1111111111 -0.4004 5 O 3.9599 1.8994 -0.0495 O.2 1 UNL1111111111 -0.4685 6 O 6.5349 2.5402 -0.4810 O.2 1 UNL1111111111 -0.5208 7 O 5.8733 -2.0660 0.0821 O.2 1 UNL1111111111 -0.5379 8 N 7.7215 -0.7785 -0.3272 N.am 1 UNL1111111111 -0.6241 9 C -5.2604 0.6165 0.6942 C.3 1 UNL1111111111 0.0828 10 C -5.8187 -0.1723 -0.4476 C.3 1 UNL1111111111 -0.1430 11 C -3.8750 1.2511 0.5007 C.3 1 UNL1111111111 0.4407 12 C -3.6120 0.3267 -1.6649 C.3 1 UNL1111111111 0.0041 13 C -2.5193 -0.6224 -1.1377 C.3 1 UNL1111111111 -0.1847 14 C -4.9920 -0.3187 -1.6926 C.2 1 UNL1111111111 0.4097 15 C -2.7146 -0.8378 0.3775 C.3 1 UNL1111111111 0.0996 16 C -5.6707 0.3460 2.1049 C.3 1 UNL1111111111 -0.4595 17 C -3.7020 2.6088 1.1596 C.3 1 UNL1111111111 -0.4662 18 C -1.4598 -1.4407 1.0521 C.3 1 UNL1111111111 -0.1203 19 C -2.5095 -1.9476 -1.8859 C.3 1 UNL1111111111 -0.4513 20 C -1.7054 -1.5959 2.5576 C.3 1 UNL1111111111 -0.4380 21 C -0.2757 -0.5549 0.8338 C.2 1 UNL1111111111 -0.1300 22 C 0.9876 -0.9857 0.6713 C.2 1 UNL1111111111 -0.0528 23 C 1.3954 -2.4188 0.7243 C.3 1 UNL1111111111 -0.4433 24 C 2.0409 -0.0031 0.4290 C.2 1 UNL1111111111 -0.0035 25 C 3.3343 -0.3327 0.2636 C.2 1 UNL1111111111 -0.3000 26 C 4.3795 0.6343 0.0174 C.2 1 UNL1111111111 0.5135 27 C 5.7069 0.3448 -0.1437 C.2 1 UNL1111111111 -0.5711 28 C 6.7226 1.3460 -0.3893 C.2 1 UNL1111111111 0.5221 29 C 6.3552 -0.9722 -0.1038 C.2 1 UNL1111111111 0.6581 30 C 8.0727 0.6386 -0.5104 C.3 1 UNL1111111111 -0.1614 31 H -6.5714 -0.9532 -0.3021 H 1 UNL1111111111 0.1812 32 H -3.3565 0.7344 -2.6751 H 1 UNL1111111111 0.1814 33 H -1.5390 -0.1000 -1.2954 H 1 UNL1111111111 0.1726 34 H -3.6082 -1.4638 0.5873 H 1 UNL1111111111 0.1262 35 H -5.8220 1.2844 2.6608 H 1 UNL1111111111 0.1701 36 H -4.9023 -0.2330 2.6417 H 1 UNL1111111111 0.1706 37 H -6.6173 -0.2097 2.1660 H 1 UNL1111111111 0.1656 38 H -2.7358 3.0555 0.8747 H 1 UNL1111111111 0.1776 39 H -3.7238 2.5345 2.2513 H 1 UNL1111111111 0.1664 40 H -4.4917 3.2995 0.8295 H 1 UNL1111111111 0.1772 41 H -1.2913 -2.4543 0.6043 H 1 UNL1111111111 0.1526 42 H -2.5199 -1.7938 -2.9741 H 1 UNL1111111111 0.1658 43 H -1.6118 -2.5343 -1.6539 H 1 UNL1111111111 0.1521 44 H -3.3838 -2.5701 -1.6482 H 1 UNL1111111111 0.1552 45 H -1.8764 -0.6196 3.0319 H 1 UNL1111111111 0.1635 46 H -2.5812 -2.2185 2.7615 H 1 UNL1111111111 0.1440 47 H -0.8431 -2.0561 3.0561 H 1 UNL1111111111 0.1497 48 H -0.5147 0.5150 0.8222 H 1 UNL1111111111 0.1691 49 H 2.1482 -2.5877 1.5124 H 1 UNL1111111111 0.1683 50 H 1.8499 -2.7424 -0.2255 H 1 UNL1111111111 0.1660 51 H 0.5648 -3.1039 0.9332 H 1 UNL1111111111 0.1491 52 H 1.7217 1.0472 0.3824 H 1 UNL1111111111 0.1636 53 H 3.6919 -1.3730 0.3107 H 1 UNL1111111111 0.2148 54 H 8.5311 0.8282 -1.5053 H 1 UNL1111111111 0.1700 55 H 8.7841 0.9947 0.2651 H 1 UNL1111111111 0.1694 56 H 4.7328 2.5484 -0.2317 H 1 UNL1111111111 0.3910 57 H 8.4066 -1.4999 -0.3448 H 1 UNL1111111111 0.3289 @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