@MOLECULE neopentyl hexanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.1978 -0.7443 -0.0079 C.3 1 UNL111111111 -0.7561 2 C 5.0091 0.2162 0.0101 C.3 1 UNL111111111 -0.1577 3 C 3.6808 -0.5531 0.0003 C.3 1 UNL111111111 -0.3359 4 C 2.4984 0.4214 -0.0069 C.3 1 UNL111111111 -0.3399 5 C 1.1688 -0.3373 0.0068 C.3 1 UNL111111111 -0.4632 6 C 0.0247 0.6317 0.0017 C.2 1 UNL111111111 0.5051 7 O 0.0648 1.8348 -0.0019 O.2 1 UNL111111111 -0.4252 8 O -1.1437 -0.0566 0.0020 O.3 1 UNL111111111 -0.2280 9 C -2.3414 0.7306 0.0022 C.3 1 UNL111111111 -0.6573 10 C -3.4944 -0.2940 -0.0005 C.3 1 UNL111111111 0.8965 11 C -3.3985 -1.1776 1.2492 C.3 1 UNL111111111 -1.0310 12 C -4.8152 0.4897 0.0097 C.3 1 UNL111111111 -1.0128 13 C -3.4099 -1.1590 -1.2637 C.3 1 UNL111111111 -1.0289 14 H 6.1795 -1.4234 0.8515 H 1 UNL111111111 0.2363 15 H 6.2022 -1.3597 -0.9142 H 1 UNL111111111 0.2184 16 H 7.1485 -0.2003 0.0237 H 1 UNL111111111 0.2120 17 H 5.0627 0.8676 0.9031 H 1 UNL111111111 0.1414 18 H 5.0601 0.8952 -0.8624 H 1 UNL111111111 0.1208 19 H 3.6363 -1.2158 -0.8841 H 1 UNL111111111 0.1719 20 H 3.6253 -1.2184 0.8820 H 1 UNL111111111 0.1891 21 H 2.5546 1.1051 0.8639 H 1 UNL111111111 0.1783 22 H 2.5485 1.0823 -0.8955 H 1 UNL111111111 0.1611 23 H 1.0914 -1.0166 -0.8687 H 1 UNL111111111 0.2224 24 H 1.0983 -0.9980 0.8971 H 1 UNL111111111 0.2429 25 H -2.3427 1.3660 0.9037 H 1 UNL111111111 0.2498 26 H -2.3415 1.3698 -0.8966 H 1 UNL111111111 0.2288 27 H -3.4744 -0.5877 2.1683 H 1 UNL111111111 0.2762 28 H -4.1936 -1.9295 1.2696 H 1 UNL111111111 0.2769 29 H -2.4391 -1.7095 1.2800 H 1 UNL111111111 0.2956 30 H -4.9112 1.1326 -0.8717 H 1 UNL111111111 0.2515 31 H -5.6727 -0.1924 0.0101 H 1 UNL111111111 0.2728 32 H -4.9035 1.1239 0.8982 H 1 UNL111111111 0.2685 33 H -2.4498 -1.6877 -1.3131 H 1 UNL111111111 0.2925 34 H -4.2028 -1.9133 -1.2855 H 1 UNL111111111 0.2729 35 H -3.4986 -0.5567 -2.1735 H 1 UNL111111111 0.2543 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 9 25 1 25 9 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1