@MOLECULE norvinodrel 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5282 -0.4974 1.0851 O.3 1 UNL1111111111 -0.5563 2 O 6.2096 -0.4780 -0.1398 O.2 1 UNL1111111111 -0.4721 3 C -2.1567 -0.3177 0.4531 C.3 1 UNL1111111111 0.0129 4 C -1.4714 0.8669 -0.2845 C.3 1 UNL1111111111 -0.1433 5 C 0.0096 0.9302 0.0775 C.3 1 UNL1111111111 -0.1146 6 C -3.6543 -0.0640 0.0660 C.3 1 UNL1111111111 0.2659 7 C 0.6737 -0.3724 -0.4508 C.3 1 UNL1111111111 -0.1183 8 C -1.5235 -1.6187 -0.0448 C.3 1 UNL1111111111 -0.2939 9 C -2.3690 2.0698 0.0452 C.3 1 UNL1111111111 -0.2769 10 C -0.0016 -1.5990 0.1964 C.3 1 UNL1111111111 -0.2712 11 C -3.7989 1.4852 0.0409 C.3 1 UNL1111111111 -0.2967 12 C 0.7117 2.1362 -0.5529 C.3 1 UNL1111111111 -0.2799 13 C -2.0471 -0.2399 1.9809 C.3 1 UNL1111111111 -0.4433 14 C 2.1651 -0.3209 -0.2517 C.2 1 UNL1111111111 -0.0534 15 C 2.1562 2.1812 -0.0426 C.3 1 UNL1111111111 -0.2773 16 C 2.8249 0.8403 -0.1090 C.2 1 UNL1111111111 -0.0270 17 C -4.0349 -0.6676 -1.2555 C.2 1 UNL1111111111 -0.1966 18 C 2.9170 -1.6152 -0.3511 C.3 1 UNL1111111111 -0.2647 19 C 4.3150 0.9309 -0.0071 C.3 1 UNL1111111111 -0.3948 20 C 4.2042 -1.5887 0.4773 C.3 1 UNL1111111111 -0.3746 21 C 5.0277 -0.3938 0.0826 C.2 1 UNL1111111111 0.4971 22 C -5.1087 -1.4343 -1.4319 C.2 1 UNL1111111111 -0.2988 23 H -1.5427 0.6898 -1.3884 H 1 UNL1111111111 0.1375 24 H 0.1327 0.9833 1.1843 H 1 UNL1111111111 0.1477 25 H 0.4989 -0.4301 -1.5584 H 1 UNL1111111111 0.1465 26 H -1.7260 -1.7659 -1.1219 H 1 UNL1111111111 0.1418 27 H -1.9714 -2.4897 0.4657 H 1 UNL1111111111 0.1381 28 H -2.2579 2.8808 -0.6891 H 1 UNL1111111111 0.1359 29 H -2.1157 2.4999 1.0278 H 1 UNL1111111111 0.1433 30 H 0.2117 -1.6114 1.2811 H 1 UNL1111111111 0.1451 31 H 0.4294 -2.5321 -0.2139 H 1 UNL1111111111 0.1350 32 H -4.3755 1.8132 0.9245 H 1 UNL1111111111 0.1638 33 H -4.3722 1.8158 -0.8373 H 1 UNL1111111111 0.1451 34 H 0.1837 3.0722 -0.2986 H 1 UNL1111111111 0.1390 35 H 0.6929 2.0648 -1.6558 H 1 UNL1111111111 0.1420 36 H -2.5892 0.6282 2.3779 H 1 UNL1111111111 0.1589 37 H -2.4817 -1.1266 2.4552 H 1 UNL1111111111 0.1431 38 H -1.0082 -0.1628 2.3169 H 1 UNL1111111111 0.1452 39 H 2.1708 2.5415 1.0085 H 1 UNL1111111111 0.1490 40 H 2.7297 2.9318 -0.6236 H 1 UNL1111111111 0.1459 41 H -3.3686 -0.4068 -2.0773 H 1 UNL1111111111 0.1495 42 H 2.3025 -2.4785 -0.0259 H 1 UNL1111111111 0.1527 43 H 3.1539 -1.8127 -1.4200 H 1 UNL1111111111 0.1555 44 H -4.4377 -1.4602 1.2306 H 1 UNL1111111111 0.3141 45 H 4.7171 1.4918 -0.8837 H 1 UNL1111111111 0.1843 46 H 4.6081 1.5441 0.8759 H 1 UNL1111111111 0.1799 47 H 4.7817 -2.5247 0.3404 H 1 UNL1111111111 0.1706 48 H 3.9682 -1.5324 1.5600 H 1 UNL1111111111 0.1715 49 H -5.3883 -1.8563 -2.3849 H 1 UNL1111111111 0.1432 50 H -5.8030 -1.6866 -0.6426 H 1 UNL1111111111 0.1534 @BOND 1 1 6 1 2 1 44 1 3 2 21 2 4 3 4 1 5 3 6 1 6 3 8 1 7 3 13 1 8 4 5 1 9 4 9 1 10 4 23 1 11 5 7 1 12 5 12 1 13 5 24 1 14 6 11 1 15 6 17 1 16 7 10 1 17 7 14 1 18 7 25 1 19 8 10 1 20 8 26 1 21 8 27 1 22 9 11 1 23 9 28 1 24 9 29 1 25 10 30 1 26 10 31 1 27 11 32 1 28 11 33 1 29 12 15 1 30 12 34 1 31 12 35 1 32 13 36 1 33 13 37 1 34 13 38 1 35 14 16 2 36 14 18 1 37 15 16 1 38 15 39 1 39 15 40 1 40 16 19 1 41 17 22 2 42 17 41 1 43 18 20 1 44 18 42 1 45 18 43 1 46 19 21 1 47 19 45 1 48 19 46 1 49 20 21 1 50 20 47 1 51 20 48 1 52 22 49 1 53 22 50 1