@MOLECULE galphimin b 81 85 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1989 -0.7199 -2.2169 O.3 1 UNL11 -0.5771 2 O 0.7355 -3.0056 1.0596 O.3 1 UNL11 -0.5668 3 O -2.1710 2.1631 0.5737 O.3 1 UNL11 -0.4092 4 O 5.5158 -0.3257 -0.6612 O.3 1 UNL11 -0.4320 5 O -1.5668 0.4911 1.9131 O.2 1 UNL11 -0.5286 6 O 5.2061 -0.6587 2.0435 O.3 1 UNL11 -0.5669 7 O 6.7224 1.3927 -1.1579 O.2 1 UNL11 -0.4502 8 C -1.0070 -1.2413 -0.3979 C.3 1 UNL11 0.1253 9 C -1.8493 0.0847 -0.5129 C.3 1 UNL11 -0.0763 10 C 0.4292 -0.8400 0.0704 C.3 1 UNL11 -0.2000 11 C 1.1568 0.1819 -0.8566 C.3 1 UNL11 0.1000 12 C -3.3386 -0.2052 -0.9004 C.3 1 UNL11 0.2960 13 C -4.0453 -1.2507 0.0120 C.3 1 UNL11 0.0323 14 C -1.1794 0.9914 -1.5610 C.3 1 UNL11 -0.2685 15 C -1.7097 -2.1486 0.6343 C.3 1 UNL11 -0.3086 16 C 2.4327 0.7231 -0.0847 C.3 1 UNL11 -0.1925 17 C 0.2253 1.3953 -1.1077 C.3 1 UNL11 -0.3089 18 C 1.4087 -2.0069 0.3138 C.3 1 UNL11 0.1628 19 C 3.3557 -0.3569 0.5158 C.3 1 UNL11 -0.0347 20 C -3.1521 -2.4802 0.2389 C.3 1 UNL11 -0.2875 21 C 2.5681 -1.4904 1.1769 C.3 1 UNL11 -0.3616 22 C -0.9430 -2.0216 -1.7190 C.3 1 UNL11 -0.4494 23 C -4.2007 1.0750 -1.0387 C.3 1 UNL11 -0.3562 24 C 1.5629 -0.3803 -2.2245 C.3 1 UNL11 -0.4696 25 C -1.8475 0.8575 0.7994 C.2 1 UNL11 0.6017 26 C -4.4223 -0.6440 1.3796 C.3 1 UNL11 -0.3025 27 C -5.3481 -1.7282 -0.6641 C.3 1 UNL11 -0.4634 28 C 4.2617 0.3039 1.6171 C.3 1 UNL11 0.1665 29 C 4.2650 -0.9759 -0.5626 C.3 1 UNL11 -0.0457 30 C 3.1440 1.7057 -0.9617 C.2 1 UNL11 -0.0323 31 C -4.9280 1.4847 0.1989 C.2 1 UNL11 0.0329 32 C -5.0331 0.7091 1.2826 C.2 1 UNL11 -0.2192 33 C 3.5354 0.7195 2.8962 C.3 1 UNL11 -0.4722 34 C 4.4089 1.7783 -1.3877 C.2 1 UNL11 -0.3482 35 C -5.5412 2.8457 0.1343 C.3 1 UNL11 -0.4543 36 C 5.5932 0.9717 -1.0775 C.2 1 UNL11 0.6043 37 C -2.2491 2.9874 1.7313 C.3 1 UNL11 -0.1744 38 H 0.2897 -0.3471 1.0711 H 1 UNL11 0.1730 39 H -1.7842 1.9042 -1.7402 H 1 UNL11 0.1498 40 H -1.1565 0.4749 -2.5422 H 1 UNL11 0.1684 41 H -1.6618 -1.7043 1.6454 H 1 UNL11 0.1659 42 H -1.1645 -3.1132 0.7225 H 1 UNL11 0.1769 43 H 2.0204 1.3033 0.7923 H 1 UNL11 0.1662 44 H 0.6626 2.0534 -1.8841 H 1 UNL11 0.1407 45 H 0.1547 2.0177 -0.1945 H 1 UNL11 0.1454 46 H 1.7495 -2.4844 -0.6281 H 1 UNL11 0.1148 47 H -3.1442 -3.0998 -0.6815 H 1 UNL11 0.1447 48 H -3.6009 -3.1242 1.0202 H 1 UNL11 0.1387 49 H 2.1424 -1.1578 2.1491 H 1 UNL11 0.1748 50 H 3.2560 -2.3129 1.4563 H 1 UNL11 0.1596 51 H -0.1618 -2.7867 -1.6799 H 1 UNL11 0.1423 52 H -1.8881 -2.5381 -1.9347 H 1 UNL11 0.1593 53 H -0.7684 -1.3803 -2.5871 H 1 UNL11 0.1483 54 H -4.9373 0.9201 -1.8572 H 1 UNL11 0.1578 55 H -3.5667 1.9161 -1.3952 H 1 UNL11 0.1703 56 H 1.9369 -1.4074 -2.1682 H 1 UNL11 0.1475 57 H 0.7110 -0.4043 -2.9183 H 1 UNL11 0.1600 58 H 2.3287 0.2327 -2.7129 H 1 UNL11 0.1475 59 H -3.5288 -0.6036 2.0438 H 1 UNL11 0.1780 60 H -5.1154 -1.3357 1.9041 H 1 UNL11 0.1514 61 H -6.0516 -0.8986 -0.7988 H 1 UNL11 0.1528 62 H -5.1670 -2.1968 -1.6359 H 1 UNL11 0.1364 63 H -5.8551 -2.4759 -0.0423 H 1 UNL11 0.1521 64 H 4.8038 1.1784 1.1931 H 1 UNL11 0.1156 65 H 4.5906 -2.0023 -0.2909 H 1 UNL11 0.1542 66 H 3.7989 -1.0024 -1.5596 H 1 UNL11 0.1406 67 H 2.4678 2.5122 -1.2994 H 1 UNL11 0.1506 68 H -4.0561 -1.0090 -2.5833 H 1 UNL11 0.3169 69 H -5.5688 1.0334 2.1711 H 1 UNL11 0.1466 70 H 1.3677 -3.6409 1.4443 H 1 UNL11 0.3116 71 H 3.4148 -0.1417 3.5708 H 1 UNL11 0.1711 72 H 4.1271 1.4582 3.4511 H 1 UNL11 0.1567 73 H 2.5477 1.1474 2.7068 H 1 UNL11 0.1484 74 H 4.6910 2.6142 -2.0511 H 1 UNL11 0.1855 75 H -4.7627 3.6232 0.1404 H 1 UNL11 0.1571 76 H -6.2098 3.0481 0.9805 H 1 UNL11 0.1510 77 H -6.1314 2.9813 -0.7818 H 1 UNL11 0.1518 78 H 5.9033 -0.7712 1.3610 H 1 UNL11 0.3350 79 H -3.0892 2.6632 2.3564 H 1 UNL11 0.1425 80 H -2.4246 3.9846 1.3153 H 1 UNL11 0.1373 81 H -1.3137 2.9464 2.2991 H 1 UNL11 0.1403 @BOND 1 1 12 1 2 1 68 1 3 2 18 1 4 2 70 1 5 3 25 1 6 3 37 1 7 4 29 1 8 4 36 1 9 5 25 2 10 6 28 1 11 6 78 1 12 7 36 2 13 8 9 1 14 8 15 1 15 8 22 1 16 9 12 1 17 9 14 1 18 9 25 1 19 10 8 1 20 10 38 1 21 11 10 1 22 11 17 1 23 11 24 1 24 12 13 1 25 12 23 1 26 13 20 1 27 13 26 1 28 13 27 1 29 14 17 1 30 14 39 1 31 14 40 1 32 15 20 1 33 15 41 1 34 15 42 1 35 16 11 1 36 16 30 1 37 16 43 1 38 17 44 1 39 17 45 1 40 18 10 1 41 18 21 1 42 18 46 1 43 19 16 1 44 19 21 1 45 19 28 1 46 19 29 1 47 20 47 1 48 20 48 1 49 21 49 1 50 21 50 1 51 22 51 1 52 22 52 1 53 22 53 1 54 23 31 1 55 23 54 1 56 23 55 1 57 24 56 1 58 24 57 1 59 24 58 1 60 26 32 1 61 26 59 1 62 26 60 1 63 27 61 1 64 27 62 1 65 27 63 1 66 28 33 1 67 28 64 1 68 29 65 1 69 29 66 1 70 30 34 2 71 30 67 1 72 31 32 2 73 31 35 1 74 32 69 1 75 33 71 1 76 33 72 1 77 33 73 1 78 34 36 1 79 34 74 1 80 35 75 1 81 35 76 1 82 35 77 1 83 37 79 1 84 37 80 1 85 37 81 1