@MOLECULE alisamycin 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1786 -6.0907 0.4512 O.3 1 UNL1111111111 -0.2533 2 O -1.0623 -4.9557 -2.2055 O.3 1 UNL1111111111 -0.5151 3 O -2.4905 -3.9746 2.6875 O.2 1 UNL1111111111 -0.4129 4 O -3.0533 -0.8696 -0.8532 O.2 1 UNL1111111111 -0.5151 5 O 7.4006 3.7016 -1.3064 O.2 1 UNL1111111111 -0.3720 6 O 9.6712 1.4950 2.1712 O.2 1 UNL1111111111 -0.4522 7 O 6.4960 1.2898 -1.5062 O.2 1 UNL1111111111 -0.4966 8 N -3.5209 -2.4278 0.7352 N.am 1 UNL1111111111 -0.5516 9 N 7.2102 1.4100 0.6521 N.am 1 UNL1111111111 -0.5105 10 C -0.2111 -5.1324 0.0311 C.3 1 UNL1111111111 -0.0631 11 C -0.8530 -5.0502 1.3744 C.3 1 UNL1111111111 -0.1160 12 C -0.6515 -4.1897 -1.0847 C.3 1 UNL1111111111 0.2676 13 C -1.9706 -4.0778 1.6042 C.2 1 UNL1111111111 0.4338 14 C -1.8512 -3.3449 -0.7705 C.2 1 UNL1111111111 -0.1664 15 C -2.4219 -3.2560 0.4423 C.2 1 UNL1111111111 0.0576 16 C 0.4730 -3.2800 -1.5070 C.2 1 UNL1111111111 -0.2006 17 C -8.2027 3.1888 0.1762 C.3 1 UNL1111111111 -0.1245 18 C -7.8313 4.5732 0.7474 C.3 1 UNL1111111111 -0.2698 19 C -9.1250 3.3467 -1.0488 C.3 1 UNL1111111111 -0.2699 20 C -9.1019 5.3386 1.1369 C.3 1 UNL1111111111 -0.2634 21 C -10.3941 4.1125 -0.6561 C.3 1 UNL1111111111 -0.2635 22 C -10.0330 5.4858 -0.0749 C.3 1 UNL1111111111 -0.2637 23 C 1.3591 -2.7440 -0.6581 C.2 1 UNL1111111111 -0.1498 24 C -6.9534 2.4774 -0.2353 C.2 1 UNL1111111111 -0.0937 25 C -3.7834 -1.2434 0.0385 C.2 1 UNL1111111111 0.6018 26 C -6.5783 1.3095 0.3046 C.2 1 UNL1111111111 -0.2344 27 C 2.4201 -1.8616 -1.1177 C.2 1 UNL1111111111 -0.1147 28 C -5.0109 -0.5481 0.4631 C.2 1 UNL1111111111 -0.3311 29 C -5.3642 0.6198 -0.0978 C.2 1 UNL1111111111 -0.0006 30 C 3.3374 -1.3541 -0.2768 C.2 1 UNL1111111111 -0.1799 31 C 4.3985 -0.4658 -0.7225 C.2 1 UNL1111111111 -0.0441 32 C 9.7011 4.0299 -0.3958 C.3 1 UNL1111111111 -0.3235 33 C 10.4254 3.3332 0.7769 C.3 1 UNL1111111111 -0.3681 34 C 8.2604 2.2916 0.4037 C.2 1 UNL1111111111 -0.1198 35 C 8.3798 3.3134 -0.4872 C.2 1 UNL1111111111 0.2497 36 C 9.4770 2.2424 1.2515 C.2 1 UNL1111111111 0.4792 37 C 5.2982 0.0396 0.1355 C.2 1 UNL1111111111 -0.2958 38 C 6.3620 0.9466 -0.3510 C.2 1 UNL1111111111 0.5782 39 H 0.8044 -5.5293 -0.0720 H 1 UNL1111111111 0.1674 40 H -0.3312 -5.3747 2.2824 H 1 UNL1111111111 0.1850 41 H -2.2333 -2.7915 -1.6379 H 1 UNL1111111111 0.2123 42 H 0.4785 -3.0698 -2.5783 H 1 UNL1111111111 0.1750 43 H -8.7525 2.6159 0.9621 H 1 UNL1111111111 0.1453 44 H -7.2576 5.1511 0.0029 H 1 UNL1111111111 0.1401 45 H -7.1694 4.4553 1.6239 H 1 UNL1111111111 0.1368 46 H -9.3845 2.3518 -1.4541 H 1 UNL1111111111 0.1371 47 H -8.5979 3.8822 -1.8594 H 1 UNL1111111111 0.1403 48 H -0.3856 -5.6228 -2.4420 H 1 UNL1111111111 0.3160 49 H -8.8328 6.3343 1.5340 H 1 UNL1111111111 0.1328 50 H -9.6260 4.8150 1.9556 H 1 UNL1111111111 0.1367 51 H -10.9780 3.5292 0.0804 H 1 UNL1111111111 0.1369 52 H -11.0505 4.2332 -1.5370 H 1 UNL1111111111 0.1329 53 H -9.5432 6.1036 -0.8510 H 1 UNL1111111111 0.1368 54 H -10.9505 6.0282 0.2138 H 1 UNL1111111111 0.1310 55 H -4.0461 -2.6626 1.5767 H 1 UNL1111111111 0.3318 56 H 1.3228 -2.9433 0.4153 H 1 UNL1111111111 0.1544 57 H -6.3671 2.9774 -1.0079 H 1 UNL1111111111 0.1495 58 H -7.1781 0.8240 1.0787 H 1 UNL1111111111 0.1604 59 H 2.4314 -1.6287 -2.1870 H 1 UNL1111111111 0.1569 60 H -5.6169 -1.0267 1.2305 H 1 UNL1111111111 0.1683 61 H -4.7467 1.0879 -0.8753 H 1 UNL1111111111 0.1682 62 H 3.3187 -1.5891 0.7895 H 1 UNL1111111111 0.1567 63 H 4.4381 -0.2182 -1.7898 H 1 UNL1111111111 0.1723 64 H 9.5618 5.1101 -0.2036 H 1 UNL1111111111 0.1662 65 H 10.2792 3.9525 -1.3339 H 1 UNL1111111111 0.1656 66 H 11.3937 2.8985 0.4764 H 1 UNL1111111111 0.1774 67 H 10.6516 4.0319 1.6028 H 1 UNL1111111111 0.1766 68 H 5.2792 -0.1825 1.1988 H 1 UNL1111111111 0.1638 69 H 7.1885 1.0111 1.5844 H 1 UNL1111111111 0.3227 70 H 7.7326 4.3027 -2.0243 H 1 UNL1111111111 0.3147 @BOND 1 1 10 1 2 1 11 1 3 2 12 1 4 2 48 1 5 3 13 2 6 4 25 2 7 5 35 1 8 5 70 1 9 6 36 2 10 7 38 2 11 8 15 1 12 8 25 am 13 8 55 1 14 9 34 1 15 9 38 am 16 9 69 1 17 10 11 1 18 10 12 1 19 10 39 1 20 11 13 1 21 11 40 1 22 12 14 1 23 12 16 1 24 13 15 1 25 14 15 2 26 14 41 1 27 16 23 2 28 16 42 1 29 17 18 1 30 17 19 1 31 17 24 1 32 17 43 1 33 18 20 1 34 18 44 1 35 18 45 1 36 19 21 1 37 19 46 1 38 19 47 1 39 20 22 1 40 20 49 1 41 20 50 1 42 21 22 1 43 21 51 1 44 21 52 1 45 22 53 1 46 22 54 1 47 23 27 1 48 23 56 1 49 24 26 2 50 24 57 1 51 25 28 1 52 26 29 1 53 26 58 1 54 27 30 2 55 27 59 1 56 28 29 2 57 28 60 1 58 29 61 1 59 30 31 1 60 30 62 1 61 31 37 2 62 31 63 1 63 32 33 1 64 32 35 1 65 32 64 1 66 32 65 1 67 33 36 1 68 33 66 1 69 33 67 1 70 34 35 2 71 34 36 1 72 37 38 1 73 37 68 1