@MOLECULE superstolide b 94 96 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.6106 1.2483 -1.1639 O.3 1 UNL1111111111 -0.4334 2 O 7.5236 -0.0686 1.5559 O.3 1 UNL1111111111 -0.3946 3 O 5.7157 2.7618 -2.4767 O.2 1 UNL1111111111 -0.5639 4 O -2.8668 -0.2763 1.2612 O.3 1 UNL1111111111 -0.4353 5 O -2.8348 1.0862 -0.5352 O.2 1 UNL1111111111 -0.5302 6 O -9.7575 1.1668 0.4276 O.2 1 UNL1111111111 -0.5475 7 N 3.9316 3.3863 -1.1742 N.am 1 UNL1111111111 -0.6823 8 N -8.0280 0.6316 -0.9237 N.am 1 UNL1111111111 -0.6221 9 C 4.4633 -1.4787 0.0512 C.3 1 UNL1111111111 -0.1088 10 C 2.9571 -1.3815 0.4324 C.3 1 UNL1111111111 0.0614 11 C 4.7865 -1.0985 -1.4190 C.3 1 UNL1111111111 -0.1521 12 C 5.3258 -0.6654 1.0264 C.3 1 UNL1111111111 -0.3183 13 C 5.5431 0.2371 -1.5826 C.3 1 UNL1111111111 0.1528 14 C 2.1255 -2.1528 -0.6375 C.3 1 UNL1111111111 -0.1264 15 C 6.7577 -0.6026 0.4857 C.3 1 UNL1111111111 0.1244 16 C 6.8070 0.3371 -0.7255 C.3 1 UNL1111111111 -0.3856 17 C 3.6168 -1.1374 -2.3422 C.2 1 UNL1111111111 -0.1753 18 C 2.7442 -2.0828 1.7857 C.3 1 UNL1111111111 -0.4655 19 C 2.4253 -1.6425 -2.0123 C.2 1 UNL1111111111 -0.1573 20 C 2.5276 0.0565 0.4626 C.2 1 UNL1111111111 -0.1040 21 C 0.6640 -1.9918 -0.3667 C.2 1 UNL1111111111 -0.2058 22 C 2.2007 0.7292 1.5686 C.2 1 UNL1111111111 -0.2368 23 C -0.1841 -2.9603 0.0029 C.2 1 UNL1111111111 0.0151 24 C 8.9199 -0.1825 1.3608 C.3 1 UNL1111111111 -0.1977 25 C 4.8384 2.4900 -1.6849 C.2 1 UNL1111111111 0.7216 26 C 1.9210 2.1653 1.5894 C.2 1 UNL1111111111 0.0907 27 C 0.1693 -4.3842 0.2637 C.3 1 UNL1111111111 -0.4457 28 C -1.6004 -2.6294 0.2076 C.2 1 UNL1111111111 -0.1787 29 C 3.0167 2.9564 2.2295 C.3 1 UNL1111111111 -0.4682 30 C 0.8168 2.7563 1.1121 C.2 1 UNL1111111111 -0.2790 31 C -2.3370 -2.0834 -0.7662 C.2 1 UNL1111111111 -0.1452 32 C -3.7489 -1.6072 -0.6077 C.3 1 UNL1111111111 -0.1519 33 C -0.3322 2.0985 0.5047 C.2 1 UNL1111111111 -0.0030 34 C -3.9892 -1.0250 0.8010 C.3 1 UNL1111111111 0.1237 35 C -4.7281 -2.7544 -0.8728 C.3 1 UNL1111111111 -0.4422 36 C -5.2482 -0.2018 0.9460 C.2 1 UNL1111111111 -0.0105 37 C -1.1211 1.2285 1.1499 C.2 1 UNL1111111111 -0.2999 38 C -2.3404 0.7176 0.5022 C.2 1 UNL1111111111 0.6292 39 C -5.7728 0.4848 -0.0743 C.2 1 UNL1111111111 -0.2207 40 C -5.8234 -0.2461 2.3213 C.3 1 UNL1111111111 -0.4554 41 C -7.0567 1.2654 -0.0106 C.3 1 UNL1111111111 0.1198 42 C -6.8092 2.7234 -0.4268 C.3 1 UNL1111111111 -0.4754 43 C -9.3707 0.6680 -0.6109 C.2 1 UNL1111111111 0.6104 44 C -10.3009 0.0553 -1.6213 C.3 1 UNL1111111111 -0.5344 45 H 4.7448 -2.5586 0.1658 H 1 UNL1111111111 0.1330 46 H 5.5059 -1.8859 -1.7878 H 1 UNL1111111111 0.1523 47 H 5.3158 -1.1116 2.0367 H 1 UNL1111111111 0.1537 48 H 4.9255 0.3590 1.1507 H 1 UNL1111111111 0.1715 49 H 5.7870 0.4101 -2.6586 H 1 UNL1111111111 0.1455 50 H 2.4277 -3.2320 -0.5979 H 1 UNL1111111111 0.1515 51 H 7.1425 -1.6143 0.2402 H 1 UNL1111111111 0.1112 52 H 6.9236 1.3838 -0.3626 H 1 UNL1111111111 0.1844 53 H 7.7011 0.1447 -1.3389 H 1 UNL1111111111 0.1508 54 H 3.7989 -0.7441 -3.3459 H 1 UNL1111111111 0.1495 55 H 3.0566 -3.1316 1.7506 H 1 UNL1111111111 0.1423 56 H 1.6816 -2.0748 2.0650 H 1 UNL1111111111 0.1627 57 H 3.3070 -1.5943 2.5897 H 1 UNL1111111111 0.1487 58 H 1.6030 -1.7120 -2.7213 H 1 UNL1111111111 0.1527 59 H 2.5333 0.5376 -0.5202 H 1 UNL1111111111 0.1674 60 H 0.3023 -0.9659 -0.4923 H 1 UNL1111111111 0.1629 61 H 2.1789 0.2642 2.5556 H 1 UNL1111111111 0.1651 62 H 9.3322 0.2030 2.3026 H 1 UNL1111111111 0.1433 63 H 9.2505 0.4399 0.5230 H 1 UNL1111111111 0.1234 64 H 9.2194 -1.2241 1.2139 H 1 UNL1111111111 0.1172 65 H -0.3526 -5.0515 -0.4380 H 1 UNL1111111111 0.1569 66 H -0.1263 -4.6847 1.2794 H 1 UNL1111111111 0.1549 67 H 1.2432 -4.5897 0.1715 H 1 UNL1111111111 0.1491 68 H -1.9838 -2.8235 1.2074 H 1 UNL1111111111 0.1564 69 H 3.9930 2.7371 1.7697 H 1 UNL1111111111 0.1681 70 H 2.8588 4.0405 2.1798 H 1 UNL1111111111 0.1529 71 H 3.1113 2.6904 3.2946 H 1 UNL1111111111 0.1673 72 H 3.9546 4.3360 -1.4867 H 1 UNL1111111111 0.3232 73 H 3.2161 3.1127 -0.5296 H 1 UNL1111111111 0.3254 74 H 0.6912 3.8430 1.1782 H 1 UNL1111111111 0.1646 75 H -1.9265 -1.9239 -1.7604 H 1 UNL1111111111 0.1501 76 H -3.9250 -0.7952 -1.3659 H 1 UNL1111111111 0.1729 77 H -0.5663 2.4201 -0.5202 H 1 UNL1111111111 0.1659 78 H -3.9714 -1.8529 1.5571 H 1 UNL1111111111 0.1481 79 H -5.7703 -2.4192 -0.8043 H 1 UNL1111111111 0.1505 80 H -4.5785 -3.1665 -1.8772 H 1 UNL1111111111 0.1489 81 H -4.5944 -3.5763 -0.1591 H 1 UNL1111111111 0.1471 82 H -0.9121 0.8619 2.1525 H 1 UNL1111111111 0.1859 83 H -5.2692 0.5309 -1.0419 H 1 UNL1111111111 0.1676 84 H -6.5039 -1.1022 2.4414 H 1 UNL1111111111 0.1603 85 H -6.4022 0.6562 2.5665 H 1 UNL1111111111 0.1623 86 H -5.0393 -0.3359 3.0888 H 1 UNL1111111111 0.1620 87 H -7.5038 1.2502 1.0244 H 1 UNL1111111111 0.1702 88 H -6.4518 2.8012 -1.4566 H 1 UNL1111111111 0.1498 89 H -6.0535 3.1905 0.2204 H 1 UNL1111111111 0.1588 90 H -7.7309 3.3100 -0.3441 H 1 UNL1111111111 0.1596 91 H -7.6866 0.2829 -1.7995 H 1 UNL1111111111 0.3082 92 H -10.0143 -0.9683 -1.8963 H 1 UNL1111111111 0.1694 93 H -11.3208 0.0144 -1.2052 H 1 UNL1111111111 0.1867 94 H -10.3499 0.6601 -2.5369 H 1 UNL1111111111 0.1720 @BOND 1 1 13 1 2 1 25 1 3 2 15 1 4 2 24 1 5 3 25 2 6 4 34 1 7 4 38 1 8 5 38 2 9 6 43 2 10 7 25 am 11 7 72 1 12 7 73 1 13 8 41 1 14 8 43 am 15 8 91 1 16 9 10 1 17 9 11 1 18 9 12 1 19 9 45 1 20 10 14 1 21 10 18 1 22 10 20 1 23 11 13 1 24 11 17 1 25 11 46 1 26 12 15 1 27 12 47 1 28 12 48 1 29 13 16 1 30 13 49 1 31 14 19 1 32 14 21 1 33 14 50 1 34 15 16 1 35 15 51 1 36 16 52 1 37 16 53 1 38 17 19 2 39 17 54 1 40 18 55 1 41 18 56 1 42 18 57 1 43 19 58 1 44 20 22 2 45 20 59 1 46 21 23 2 47 21 60 1 48 22 26 1 49 22 61 1 50 23 27 1 51 23 28 1 52 24 62 1 53 24 63 1 54 24 64 1 55 26 29 1 56 26 30 2 57 27 65 1 58 27 66 1 59 27 67 1 60 28 31 2 61 28 68 1 62 29 69 1 63 29 70 1 64 29 71 1 65 30 33 1 66 30 74 1 67 31 32 1 68 31 75 1 69 32 34 1 70 32 35 1 71 32 76 1 72 33 37 2 73 33 77 1 74 34 36 1 75 34 78 1 76 35 79 1 77 35 80 1 78 35 81 1 79 36 39 2 80 36 40 1 81 37 38 1 82 37 82 1 83 39 41 1 84 39 83 1 85 40 84 1 86 40 85 1 87 40 86 1 88 41 42 1 89 41 87 1 90 42 88 1 91 42 89 1 92 42 90 1 93 43 44 1 94 44 92 1 95 44 93 1 96 44 94 1