@MOLECULE militarinone d 62 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.6868 -1.2829 -0.0857 O.3 1 UNL1 -0.4559 2 O -1.2032 -1.2282 -0.0956 O.2 1 UNL1 -0.5812 3 O -1.5393 2.9447 0.3589 O.2 1 UNL1 -0.5206 4 O -9.6950 -2.1431 -0.2994 O.3 1 UNL1 -0.4748 5 N -3.7569 2.7800 0.2820 N.ar 1 UNL1 -0.5058 6 C 8.2105 -0.7700 0.8297 C.3 1 UNL1 -0.0856 7 C 8.3534 -0.4892 -0.6780 C.3 1 UNL1 -0.2942 8 C 7.3719 0.6003 -1.1593 C.3 1 UNL1 -0.0913 9 C 8.7331 -2.1795 1.1717 C.3 1 UNL1 -0.2684 10 C 8.9804 0.2774 1.6445 C.3 1 UNL1 -0.4583 11 C 7.6893 0.9922 -2.6098 C.3 1 UNL1 -0.4499 12 C 5.9711 0.0758 -1.0828 C.2 1 UNL1 -0.1755 13 C 7.7346 -3.2647 0.7681 C.3 1 UNL1 -0.4374 14 C 5.0374 0.4846 -0.2087 C.2 1 UNL1 -0.0220 15 C 5.2692 1.5344 0.8270 C.3 1 UNL1 -0.4469 16 C 3.6989 -0.1083 -0.2589 C.2 1 UNL1 -0.1055 17 C 2.5708 0.5928 -0.0577 C.2 1 UNL1 -0.2039 18 C -4.9079 0.6926 0.0993 C.ar 1 UNL1 -0.2708 19 C 1.2585 -0.0269 -0.1212 C.2 1 UNL1 -0.0154 20 C -2.4306 0.7314 0.1217 C.ar 1 UNL1 -0.5547 21 C -3.6410 0.0241 0.0463 C.ar 1 UNL1 0.5052 22 C -6.1565 -0.0592 0.0335 C.ar 1 UNL1 -0.0405 23 C -4.9161 2.0638 0.2063 C.ar 1 UNL1 0.1547 24 C 0.1300 0.6641 0.1224 C.2 1 UNL1 -0.3151 25 C -1.1735 0.0037 0.0459 C.2 1 UNL1 0.5683 26 C -2.4566 2.1582 0.2596 C.ar 1 UNL1 0.6377 27 C -6.3587 -0.9889 -0.9979 C.ar 1 UNL1 -0.0620 28 C -7.1542 0.1516 0.9888 C.ar 1 UNL1 -0.0893 29 C -7.5543 -1.6855 -1.0928 C.ar 1 UNL1 -0.2461 30 C -8.3636 -0.5346 0.9118 C.ar 1 UNL1 -0.3110 31 C -8.5444 -1.4393 -0.1347 C.ar 1 UNL1 0.2928 32 H 7.1290 -0.7191 1.1080 H 1 UNL1 0.1439 33 H 8.1819 -1.4178 -1.2540 H 1 UNL1 0.1427 34 H 9.3904 -0.1849 -0.9082 H 1 UNL1 0.1400 35 H 7.4964 1.5061 -0.5171 H 1 UNL1 0.1416 36 H 9.7073 -2.3523 0.6795 H 1 UNL1 0.1342 37 H 8.9307 -2.2484 2.2587 H 1 UNL1 0.1362 38 H 10.0606 0.1956 1.4831 H 1 UNL1 0.1443 39 H 8.6853 1.2952 1.3684 H 1 UNL1 0.1412 40 H 8.7953 0.1603 2.7175 H 1 UNL1 0.1426 41 H 7.6627 0.1256 -3.2788 H 1 UNL1 0.1457 42 H 8.6842 1.4425 -2.6894 H 1 UNL1 0.1439 43 H 6.9635 1.7224 -2.9861 H 1 UNL1 0.1484 44 H 5.7480 -0.6993 -1.8171 H 1 UNL1 0.1485 45 H 7.5277 -3.2447 -0.3076 H 1 UNL1 0.1420 46 H 8.1143 -4.2626 1.0124 H 1 UNL1 0.1395 47 H 6.7772 -3.1386 1.2870 H 1 UNL1 0.1443 48 H 4.5399 1.4805 1.6474 H 1 UNL1 0.1591 49 H 6.2638 1.4460 1.2881 H 1 UNL1 0.1571 50 H 5.1995 2.5412 0.3896 H 1 UNL1 0.1588 51 H 3.6708 -1.1776 -0.4864 H 1 UNL1 0.1516 52 H 2.5947 1.6634 0.1581 H 1 UNL1 0.1651 53 H 1.2210 -1.0936 -0.3779 H 1 UNL1 0.1658 54 H -5.8591 2.6292 0.2318 H 1 UNL1 0.1701 55 H 0.1463 1.7252 0.3820 H 1 UNL1 0.2035 56 H -3.7752 3.7941 0.3631 H 1 UNL1 0.3260 57 H -5.5650 -1.1667 -1.7266 H 1 UNL1 0.1666 58 H -6.9844 0.8488 1.8080 H 1 UNL1 0.1492 59 H -7.7333 -2.4096 -1.8838 H 1 UNL1 0.1774 60 H -9.1391 -0.3709 1.6506 H 1 UNL1 0.1590 61 H -2.6947 -1.6843 -0.1207 H 1 UNL1 0.4088 62 H -10.3537 -1.9563 0.4111 H 1 UNL1 0.3265 @BOND 1 41 11 1 2 43 11 1 3 42 11 1 4 11 8 1 5 59 29 1 6 44 12 1 7 57 27 1 8 33 7 1 9 8 12 1 10 8 7 1 11 8 35 1 12 29 27 ar 13 29 31 ar 14 12 14 2 15 27 22 ar 16 34 7 1 17 7 6 1 18 51 16 1 19 53 19 1 20 45 13 1 21 4 31 1 22 4 62 1 23 16 14 1 24 16 17 2 25 14 15 1 26 31 30 ar 27 19 17 1 28 19 24 2 29 61 1 1 30 2 25 2 31 1 21 1 32 17 52 1 33 22 18 1 34 22 28 ar 35 25 20 1 36 25 24 1 37 21 18 ar 38 21 20 ar 39 18 23 ar 40 20 26 ar 41 24 55 1 42 23 54 1 43 23 5 ar 44 26 5 ar 45 26 3 2 46 5 56 1 47 50 15 1 48 36 9 1 49 13 46 1 50 13 9 1 51 13 47 1 52 15 49 1 53 15 48 1 54 6 32 1 55 6 9 1 56 6 10 1 57 30 28 ar 58 30 60 1 59 28 58 1 60 9 37 1 61 39 10 1 62 38 10 1 63 10 40 1