@MOLECULE tert-pentyl pentanoate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.2458 0.0607 -0.0617 C.3 1 UNL111111111 -0.8117 2 C 3.9268 0.7878 0.1992 C.3 1 UNL111111111 -0.1173 3 C 2.7351 -0.1358 -0.0792 C.3 1 UNL111111111 -0.2349 4 C 1.4151 0.5987 0.1674 C.3 1 UNL111111111 -0.6806 5 C 0.2563 -0.3314 -0.0601 C.2 1 UNL111111111 0.5713 6 O 0.3024 -1.4702 -0.4479 O.2 1 UNL111111111 -0.4404 7 O -0.8836 0.3213 0.2474 O.3 1 UNL111111111 -0.3637 8 C -2.1678 -0.3206 0.1294 C.3 1 UNL111111111 0.6774 9 C -2.3863 -0.7799 -1.3072 C.3 1 UNL111111111 -1.0497 10 C -2.2337 -1.4844 1.1179 C.3 1 UNL111111111 -1.2098 11 C -3.1246 0.8124 0.5607 C.3 1 UNL111111111 -0.2405 12 C -3.1004 2.0036 -0.3931 C.3 1 UNL111111111 -0.7636 13 H 6.1053 0.7086 0.1415 H 1 UNL111111111 0.2264 14 H 5.3464 -0.8273 0.5730 H 1 UNL111111111 0.2312 15 H 5.3228 -0.2707 -1.1035 H 1 UNL111111111 0.2379 16 H 3.8949 1.1447 1.2463 H 1 UNL111111111 0.1297 17 H 3.8639 1.6934 -0.4334 H 1 UNL111111111 0.1271 18 H 2.7722 -0.5134 -1.1203 H 1 UNL111111111 0.1573 19 H 2.7922 -1.0424 0.5558 H 1 UNL111111111 0.1757 20 H 1.3735 1.0054 1.1998 H 1 UNL111111111 0.2677 21 H 1.3211 1.4815 -0.4994 H 1 UNL111111111 0.2690 22 H -1.7696 -1.6602 -1.5443 H 1 UNL111111111 0.3060 23 H -3.4318 -1.0491 -1.4864 H 1 UNL111111111 0.2972 24 H -2.1106 0.0030 -2.0233 H 1 UNL111111111 0.2683 25 H -1.9978 -1.1605 2.1372 H 1 UNL111111111 0.2965 26 H -3.2263 -1.9451 1.1270 H 1 UNL111111111 0.3167 27 H -1.5113 -2.2710 0.8528 H 1 UNL111111111 0.3680 28 H -4.1493 0.4053 0.6417 H 1 UNL111111111 0.1540 29 H -2.8426 1.1508 1.5784 H 1 UNL111111111 0.1512 30 H -3.6950 2.8360 -0.0005 H 1 UNL111111111 0.2195 31 H -2.0761 2.3704 -0.5398 H 1 UNL111111111 0.2381 32 H -3.5042 1.7459 -1.3781 H 1 UNL111111111 0.2261 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1