@MOLECULE tanikolide 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9076 -0.5438 0.9218 O.3 1 UNL1111111111 -0.4552 2 O 4.0164 2.9872 0.4180 O.3 1 UNL1111111111 -0.5342 3 O 3.8710 -2.7030 1.1349 O.2 1 UNL1111111111 -0.4627 4 C 3.9580 0.5976 0.0708 C.3 1 UNL1111111111 0.2531 5 C 2.6397 0.6540 -0.7168 C.3 1 UNL1111111111 -0.3318 6 C 5.1797 0.5725 -0.8509 C.3 1 UNL1111111111 -0.3379 7 C 1.4146 0.5140 0.1927 C.3 1 UNL1111111111 -0.2684 8 C 5.2495 -0.7493 -1.6111 C.3 1 UNL1111111111 -0.2504 9 C 4.0802 1.7554 1.0969 C.3 1 UNL1111111111 -0.0393 10 C 0.1310 0.4323 -0.6420 C.3 1 UNL1111111111 -0.2725 11 C 5.2902 -1.9102 -0.6219 C.3 1 UNL1111111111 -0.3806 12 C -1.0946 0.3062 0.2720 C.3 1 UNL1111111111 -0.2683 13 C -2.3828 0.2265 -0.5566 C.3 1 UNL1111111111 -0.2748 14 C 4.2997 -1.7756 0.4975 C.2 1 UNL1111111111 0.6220 15 C -3.6081 0.1067 0.3584 C.3 1 UNL1111111111 -0.2711 16 C -4.8978 0.0366 -0.4689 C.3 1 UNL1111111111 -0.2730 17 C -6.1229 -0.0821 0.4466 C.3 1 UNL1111111111 -0.2743 18 C -7.4130 -0.1501 -0.3802 C.3 1 UNL1111111111 -0.2725 19 C -8.6401 -0.2643 0.5342 C.3 1 UNL1111111111 -0.2508 20 C -9.9278 -0.3314 -0.2872 C.3 1 UNL1111111111 -0.4399 21 H 2.6234 -0.1574 -1.4711 H 1 UNL1111111111 0.1522 22 H 2.5914 1.5962 -1.2941 H 1 UNL1111111111 0.1471 23 H 5.1402 1.4363 -1.5436 H 1 UNL1111111111 0.1662 24 H 6.1067 0.7218 -0.2618 H 1 UNL1111111111 0.1595 25 H 1.5172 -0.3959 0.8221 H 1 UNL1111111111 0.1660 26 H 1.3527 1.3590 0.9015 H 1 UNL1111111111 0.1339 27 H 4.3866 -0.8540 -2.2981 H 1 UNL1111111111 0.1449 28 H 6.1442 -0.7713 -2.2641 H 1 UNL1111111111 0.1464 29 H 5.0754 1.7722 1.5779 H 1 UNL1111111111 0.1524 30 H 3.3051 1.6913 1.8796 H 1 UNL1111111111 0.1376 31 H 0.0344 1.3257 -1.2855 H 1 UNL1111111111 0.1326 32 H 0.1789 -0.4342 -1.3281 H 1 UNL1111111111 0.1378 33 H 5.1232 -2.8780 -1.1430 H 1 UNL1111111111 0.1786 34 H 6.3037 -1.9984 -0.1686 H 1 UNL1111111111 0.1797 35 H -0.9987 -0.5931 0.9102 H 1 UNL1111111111 0.1429 36 H -1.1426 1.1663 0.9653 H 1 UNL1111111111 0.1355 37 H -2.4766 1.1207 -1.1999 H 1 UNL1111111111 0.1340 38 H -2.3383 -0.6382 -1.2441 H 1 UNL1111111111 0.1370 39 H -3.5178 -0.7928 0.9959 H 1 UNL1111111111 0.1388 40 H -3.6497 0.9675 1.0515 H 1 UNL1111111111 0.1359 41 H -4.8577 -0.8252 -1.1609 H 1 UNL1111111111 0.1367 42 H -4.9881 0.9347 -1.1076 H 1 UNL1111111111 0.1354 43 H -6.1623 0.7785 1.1399 H 1 UNL1111111111 0.1362 44 H -6.0337 -0.9816 1.0838 H 1 UNL1111111111 0.1372 45 H 3.0990 3.1777 0.1320 H 1 UNL1111111111 0.3140 46 H -7.3759 -1.0124 -1.0714 H 1 UNL1111111111 0.1365 47 H -7.5016 0.7470 -1.0205 H 1 UNL1111111111 0.1359 48 H -8.5527 -1.1628 1.1738 H 1 UNL1111111111 0.1340 49 H -8.6778 0.5980 1.2262 H 1 UNL1111111111 0.1335 50 H -10.0562 0.5647 -0.9044 H 1 UNL1111111111 0.1420 51 H -9.9297 -1.1973 -0.9586 H 1 UNL1111111111 0.1423 52 H -10.8077 -0.4145 0.3600 H 1 UNL1111111111 0.1400 @BOND 1 1 4 1 2 1 14 1 3 2 9 1 4 2 45 1 5 3 14 2 6 4 5 1 7 4 6 1 8 4 9 1 9 5 7 1 10 5 21 1 11 5 22 1 12 6 8 1 13 6 23 1 14 6 24 1 15 7 10 1 16 7 25 1 17 7 26 1 18 8 11 1 19 8 27 1 20 8 28 1 21 9 29 1 22 9 30 1 23 10 12 1 24 10 31 1 25 10 32 1 26 11 14 1 27 11 33 1 28 11 34 1 29 12 13 1 30 12 35 1 31 12 36 1 32 13 15 1 33 13 37 1 34 13 38 1 35 15 16 1 36 15 39 1 37 15 40 1 38 16 17 1 39 16 41 1 40 16 42 1 41 17 18 1 42 17 43 1 43 17 44 1 44 18 19 1 45 18 46 1 46 18 47 1 47 19 20 1 48 19 48 1 49 19 49 1 50 20 50 1 51 20 51 1 52 20 52 1