@MOLECULE apofenchene 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2347 0.7651 0.1452 C.3 1 UNL11111111 -0.4511 2 C -1.9189 0.1010 0.0282 C.2 1 UNL11111111 0.0241 3 C -1.6505 -1.2117 0.0757 C.2 1 UNL11111111 -0.2179 4 C -0.1834 -1.4899 -0.0773 C.3 1 UNL11111111 -0.2794 5 C 0.4502 -0.1134 -0.4400 C.3 1 UNL11111111 -0.1068 6 C -0.6739 0.9267 -0.1631 C.3 1 UNL11111111 -0.3015 7 C 1.7323 0.1762 0.3591 C.3 1 UNL11111111 -0.0794 8 C 2.7963 -0.8924 0.0727 C.3 1 UNL11111111 -0.4529 9 C 2.2947 1.5567 -0.0086 C.3 1 UNL11111111 -0.4537 10 H -4.0502 0.0501 0.3222 H 1 UNL11111111 0.1540 11 H -3.2485 1.4862 0.9759 H 1 UNL11111111 0.1564 12 H -3.4842 1.3208 -0.7713 H 1 UNL11111111 0.1571 13 H -2.3428 -2.0190 0.2101 H 1 UNL11111111 0.1470 14 H 0.2338 -1.8953 0.8617 H 1 UNL11111111 0.1462 15 H 0.0173 -2.2396 -0.8590 H 1 UNL11111111 0.1403 16 H 0.6892 -0.1034 -1.5253 H 1 UNL11111111 0.1332 17 H -0.7729 1.6420 -0.9936 H 1 UNL11111111 0.1428 18 H -0.4647 1.5235 0.7418 H 1 UNL11111111 0.1490 19 H 1.4896 0.1628 1.4486 H 1 UNL11111111 0.1333 20 H 3.0494 -0.9289 -0.9922 H 1 UNL11111111 0.1447 21 H 3.7198 -0.6872 0.6247 H 1 UNL11111111 0.1425 22 H 2.4555 -1.8909 0.3648 H 1 UNL11111111 0.1425 23 H 3.2207 1.7634 0.5386 H 1 UNL11111111 0.1433 24 H 2.5212 1.6234 -1.0781 H 1 UNL11111111 0.1449 25 H 1.5879 2.3578 0.2295 H 1 UNL11111111 0.1414 @BOND 1 16 5 1 2 24 9 1 3 17 6 1 4 20 8 1 5 15 4 1 6 12 1 1 7 5 6 1 8 5 4 1 9 5 7 1 10 6 2 1 11 6 18 1 12 4 3 1 13 4 14 1 14 9 25 1 15 9 7 1 16 9 23 1 17 2 3 2 18 2 1 1 19 8 7 1 20 8 22 1 21 8 21 1 22 3 13 1 23 1 10 1 24 1 11 1 25 7 19 1