@MOLECULE virilon 70 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9119 -0.8854 0.3452 O.3 1 UNL1111111111 -0.4517 2 O 6.2906 1.9888 1.1864 O.2 1 UNL1111111111 -0.4710 3 O -5.0475 -1.5353 0.1057 O.2 1 UNL1111111111 -0.5158 4 C -0.2225 -1.9128 0.2905 C.3 1 UNL1111111111 -0.1360 5 C -1.0484 -1.5461 -0.9720 C.3 1 UNL1111111111 0.0491 6 C 1.2754 -1.7581 0.0407 C.3 1 UNL1111111111 -0.1253 7 C 1.5452 -0.2696 -0.2983 C.3 1 UNL1111111111 -0.1249 8 C 3.0597 -0.0072 -0.5523 C.3 1 UNL1111111111 0.0364 9 C -0.8181 -0.0661 -1.2701 C.3 1 UNL1111111111 -0.2937 10 C 0.6821 0.1978 -1.4891 C.3 1 UNL1111111111 -0.2755 11 C -2.4740 -1.9494 -0.5070 C.3 1 UNL1111111111 0.1134 12 C -0.7642 -3.2944 0.6935 C.3 1 UNL1111111111 -0.2766 13 C 2.0693 -2.1385 1.2975 C.3 1 UNL1111111111 -0.2774 14 C -2.2724 -3.2147 0.3581 C.3 1 UNL1111111111 -0.3100 15 C 3.8912 -0.5771 0.5784 C.2 1 UNL1111111111 0.1147 16 C -0.7289 -2.3957 -2.2093 C.3 1 UNL1111111111 -0.4606 17 C 3.5671 -1.9649 1.0398 C.3 1 UNL1111111111 -0.3027 18 C 3.2570 1.5279 -0.6371 C.3 1 UNL1111111111 -0.2752 19 C 3.5528 -0.6711 -1.8488 C.3 1 UNL1111111111 -0.4542 20 C 4.7257 1.9396 -0.5928 C.3 1 UNL1111111111 -0.3843 21 C 4.9346 0.0749 1.1144 C.2 1 UNL1111111111 -0.3801 22 C 5.3943 1.3871 0.6426 C.2 1 UNL1111111111 0.4944 23 C -4.2402 -0.7910 0.5976 C.2 1 UNL1111111111 0.6145 24 C -4.5025 0.3357 1.5546 C.3 1 UNL1111111111 -0.3458 25 C -4.7312 1.6461 0.7910 C.3 1 UNL1111111111 -0.2715 26 C -3.4580 2.1346 0.0953 C.3 1 UNL1111111111 -0.0984 27 C -2.3362 2.5234 1.0788 C.3 1 UNL1111111111 -0.2757 28 C -3.6988 3.4126 -0.7333 C.3 1 UNL1111111111 -0.2807 29 C -2.3272 4.1087 -0.8184 C.3 1 UNL1111111111 -0.2653 30 C -1.4505 3.5151 0.3047 C.3 1 UNL1111111111 -0.2600 31 H -0.5110 -1.1932 1.1026 H 1 UNL1111111111 0.1515 32 H 1.5924 -2.4050 -0.8061 H 1 UNL1111111111 0.1396 33 H 1.2471 0.3347 0.5956 H 1 UNL1111111111 0.1431 34 H -1.1890 0.5557 -0.4303 H 1 UNL1111111111 0.1593 35 H -1.3941 0.2522 -2.1568 H 1 UNL1111111111 0.1409 36 H 1.0116 -0.3039 -2.4172 H 1 UNL1111111111 0.1411 37 H 0.8303 1.2807 -1.6594 H 1 UNL1111111111 0.1351 38 H -3.1997 -2.0775 -1.3286 H 1 UNL1111111111 0.1422 39 H -0.5956 -3.5039 1.7598 H 1 UNL1111111111 0.1355 40 H -0.2695 -4.1029 0.1341 H 1 UNL1111111111 0.1361 41 H 1.8520 -3.1838 1.5850 H 1 UNL1111111111 0.1409 42 H 1.7541 -1.5164 2.1570 H 1 UNL1111111111 0.1472 43 H -2.6145 -4.1133 -0.1766 H 1 UNL1111111111 0.1455 44 H -2.8827 -3.1525 1.2743 H 1 UNL1111111111 0.1543 45 H -1.3467 -2.0949 -3.0629 H 1 UNL1111111111 0.1475 46 H 0.3186 -2.2910 -2.5121 H 1 UNL1111111111 0.1502 47 H -0.9033 -3.4621 -2.0300 H 1 UNL1111111111 0.1480 48 H 3.9072 -2.6890 0.2672 H 1 UNL1111111111 0.1581 49 H 4.1359 -2.2296 1.9556 H 1 UNL1111111111 0.1546 50 H 2.7155 2.0144 0.1994 H 1 UNL1111111111 0.1488 51 H 2.7937 1.9132 -1.5637 H 1 UNL1111111111 0.1451 52 H 3.1370 -0.1813 -2.7351 H 1 UNL1111111111 0.1499 53 H 3.2706 -1.7286 -1.8938 H 1 UNL1111111111 0.1482 54 H 4.6449 -0.6191 -1.9316 H 1 UNL1111111111 0.1521 55 H 4.8242 3.0439 -0.6178 H 1 UNL1111111111 0.1709 56 H 5.2713 1.5780 -1.4877 H 1 UNL1111111111 0.1682 57 H 5.5237 -0.3390 1.9324 H 1 UNL1111111111 0.1783 58 H -5.3981 0.0868 2.1642 H 1 UNL1111111111 0.1736 59 H -3.6595 0.4473 2.2683 H 1 UNL1111111111 0.1755 60 H -5.5381 1.5112 0.0424 H 1 UNL1111111111 0.1511 61 H -5.1027 2.4183 1.4928 H 1 UNL1111111111 0.1464 62 H -3.0848 1.3317 -0.5852 H 1 UNL1111111111 0.1471 63 H -4.1033 3.1809 -1.7294 H 1 UNL1111111111 0.1330 64 H -4.4361 4.0685 -0.2423 H 1 UNL1111111111 0.1342 65 H -2.7536 2.9971 1.9821 H 1 UNL1111111111 0.1344 66 H -1.7688 1.6433 1.4195 H 1 UNL1111111111 0.1380 67 H -1.0603 4.3020 0.9674 H 1 UNL1111111111 0.1298 68 H -0.5713 3.0029 -0.1203 H 1 UNL1111111111 0.1340 69 H -1.8633 3.9408 -1.8036 H 1 UNL1111111111 0.1316 70 H -2.4307 5.1990 -0.7095 H 1 UNL1111111111 0.1289 @BOND 1 1 11 1 2 1 23 1 3 2 22 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 31 1 9 5 9 1 10 5 11 1 11 5 16 1 12 6 7 1 13 6 13 1 14 6 32 1 15 7 8 1 16 7 10 1 17 7 33 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 10 1 22 9 34 1 23 9 35 1 24 10 36 1 25 10 37 1 26 11 14 1 27 11 38 1 28 12 14 1 29 12 39 1 30 12 40 1 31 13 17 1 32 13 41 1 33 13 42 1 34 14 43 1 35 14 44 1 36 15 17 1 37 15 21 2 38 16 45 1 39 16 46 1 40 16 47 1 41 17 48 1 42 17 49 1 43 18 20 1 44 18 50 1 45 18 51 1 46 19 52 1 47 19 53 1 48 19 54 1 49 20 22 1 50 20 55 1 51 20 56 1 52 21 22 1 53 21 57 1 54 23 24 1 55 24 25 1 56 24 58 1 57 24 59 1 58 25 26 1 59 25 60 1 60 25 61 1 61 26 27 1 62 26 28 1 63 26 62 1 64 27 30 1 65 27 65 1 66 27 66 1 67 28 29 1 68 28 63 1 69 28 64 1 70 29 30 1 71 29 69 1 72 29 70 1 73 30 67 1 74 30 68 1