@MOLECULE actane 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1656 3.8129 0.2385 O.3 1 UNL1111111111 -0.5659 2 O -1.9243 -4.5822 0.2728 O.3 1 UNL1111111111 -0.5647 3 O 4.9946 0.5670 0.4172 O.3 1 UNL1111111111 -0.5474 4 N -0.6767 1.2152 -0.0614 N.3 1 UNL1111111111 -0.4422 5 N -0.6926 -1.1946 -0.0765 N.3 1 UNL1111111111 -0.4427 6 N 1.4104 -0.0018 -0.0640 N.3 1 UNL1111111111 -0.4356 7 C -1.4041 0.0168 -0.5441 C.3 1 UNL1111111111 0.0500 8 C 0.7314 1.2370 -0.5184 C.3 1 UNL1111111111 0.0489 9 C 0.7173 -1.2259 -0.5332 C.3 1 UNL1111111111 0.0476 10 C -1.3911 2.4545 -0.4347 C.3 1 UNL1111111111 -0.1397 11 C -1.4045 -2.4301 -0.4668 C.3 1 UNL1111111111 -0.1406 12 C 2.8308 -0.0028 -0.4784 C.3 1 UNL1111111111 -0.1721 13 C -2.3029 2.8118 0.7596 C.3 1 UNL1111111111 0.0105 14 C -1.2896 -3.3973 0.7318 C.3 1 UNL1111111111 0.0107 15 C 3.6146 0.8190 0.5702 C.3 1 UNL1111111111 0.0044 16 H -2.4112 0.0212 -0.0522 H 1 UNL1111111111 0.1511 17 H -1.5459 0.0253 -1.6540 H 1 UNL1111111111 0.0893 18 H 0.8177 1.3854 -1.6241 H 1 UNL1111111111 0.0890 19 H 1.2325 2.0940 0.0017 H 1 UNL1111111111 0.1503 20 H 1.2070 -2.0964 -0.0253 H 1 UNL1111111111 0.1482 21 H 0.8007 -1.3619 -1.6407 H 1 UNL1111111111 0.0888 22 H -2.0036 2.3644 -1.3581 H 1 UNL1111111111 0.1405 23 H -0.6852 3.2917 -0.6182 H 1 UNL1111111111 0.1479 24 H -1.0058 -2.9142 -1.3833 H 1 UNL1111111111 0.1372 25 H -2.4796 -2.2345 -0.6687 H 1 UNL1111111111 0.1517 26 H 3.0050 0.4020 -1.4965 H 1 UNL1111111111 0.1304 27 H 3.2246 -1.0421 -0.4876 H 1 UNL1111111111 0.1444 28 H -1.7252 3.2154 1.6071 H 1 UNL1111111111 0.1236 29 H -2.9056 1.9510 1.0954 H 1 UNL1111111111 0.1232 30 H -1.8100 -3.0029 1.6204 H 1 UNL1111111111 0.1270 31 H -0.2411 -3.6275 0.9835 H 1 UNL1111111111 0.1189 32 H 3.2868 0.5799 1.5981 H 1 UNL1111111111 0.1384 33 H 3.5373 1.9069 0.4002 H 1 UNL1111111111 0.1393 34 H -3.7409 4.1657 0.9408 H 1 UNL1111111111 0.3147 35 H -2.0490 -5.2081 1.0086 H 1 UNL1111111111 0.3146 36 H 5.2186 -0.3366 0.7112 H 1 UNL1111111111 0.3103 @BOND 1 1 13 1 2 1 34 1 3 2 14 1 4 2 35 1 5 3 15 1 6 3 36 1 7 4 7 1 8 4 8 1 9 4 10 1 10 5 7 1 11 5 9 1 12 5 11 1 13 6 8 1 14 6 9 1 15 6 12 1 16 7 16 1 17 7 17 1 18 8 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 10 13 1 23 10 22 1 24 10 23 1 25 11 14 1 26 11 24 1 27 11 25 1 28 12 15 1 29 12 26 1 30 12 27 1 31 13 28 1 32 13 29 1 33 14 30 1 34 14 31 1 35 15 32 1 36 15 33 1