@MOLECULE 6,6-dimethyl-3-heptyne 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1040 -0.4133 -0.0003 C.3 1 UNL111111111 -0.4244 2 C 3.0055 0.6586 -0.0012 C.3 1 UNL111111111 -0.2104 3 C 1.7035 0.0581 0.0004 C.1 1 UNL111111111 -0.1245 4 C 0.6041 -0.4515 0.0026 C.1 1 UNL111111111 -0.0931 5 C -0.6987 -1.0466 0.0031 C.3 1 UNL111111111 -0.2692 6 C -1.8327 0.0191 0.0002 C.3 1 UNL111111111 0.1455 7 C -1.7236 0.8903 -1.2586 C.3 1 UNL111111111 -0.4664 8 C -3.1855 -0.7114 0.0005 C.3 1 UNL111111111 -0.4709 9 C -1.7248 0.8973 1.2541 C.3 1 UNL111111111 -0.4663 10 H 4.0287 -1.0548 0.8855 H 1 UNL111111111 0.1482 11 H 4.0247 -1.0624 -0.8802 H 1 UNL111111111 0.1483 12 H 5.1005 0.0391 -0.0044 H 1 UNL111111111 0.1406 13 H 3.1287 1.3240 0.8857 H 1 UNL111111111 0.1533 14 H 3.1276 1.3241 -0.8881 H 1 UNL111111111 0.1534 15 H -0.8209 -1.7123 -0.8824 H 1 UNL111111111 0.1591 16 H -0.8219 -1.7115 0.8891 H 1 UNL111111111 0.1591 17 H -1.7923 0.2886 -2.1704 H 1 UNL111111111 0.1443 18 H -2.5179 1.6421 -1.2942 H 1 UNL111111111 0.1440 19 H -0.7637 1.4198 -1.2891 H 1 UNL111111111 0.1526 20 H -3.3009 -1.3426 0.8872 H 1 UNL111111111 0.1442 21 H -4.0169 0.0017 -0.0030 H 1 UNL111111111 0.1472 22 H -3.2984 -1.3486 -0.8825 H 1 UNL111111111 0.1442 23 H -0.7653 1.4279 1.2834 H 1 UNL111111111 0.1526 24 H -2.5199 1.6485 1.2845 H 1 UNL111111111 0.1440 25 H -1.7942 0.3007 2.1691 H 1 UNL111111111 0.1443 @BOND 1 1 2 1 2 2 3 1 3 3 4 3 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 5 15 1 15 5 16 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1