@MOLECULE methyl 3,3-dimethylpentanoate 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7184 -0.3347 0.0013 C.3 1 UNL111111111 -0.4316 2 C 2.3347 -0.9825 -0.0217 C.3 1 UNL111111111 -0.2772 3 C 1.1646 0.0363 -0.0006 C.3 1 UNL111111111 0.1378 4 C 1.2150 0.8860 1.2734 C.3 1 UNL111111111 -0.4724 5 C 1.2152 0.9365 -1.2394 C.3 1 UNL111111111 -0.4727 6 C -0.1420 -0.8017 -0.0151 C.3 1 UNL111111111 -0.3905 7 C -1.3937 0.0178 -0.0037 C.2 1 UNL111111111 0.6178 8 O -1.5511 1.2100 0.0016 O.2 1 UNL111111111 -0.5089 9 O -2.4579 -0.8377 0.0024 O.3 1 UNL111111111 -0.4316 10 C -3.7466 -0.2364 -0.0011 C.3 1 UNL111111111 -0.1660 11 H 3.8759 0.2528 0.9126 H 1 UNL111111111 0.1443 12 H 4.5066 -1.0952 -0.0366 H 1 UNL111111111 0.1370 13 H 3.8682 0.3327 -0.8546 H 1 UNL111111111 0.1447 14 H 2.2475 -1.6179 -0.9240 H 1 UNL111111111 0.1345 15 H 2.2402 -1.6648 0.8449 H 1 UNL111111111 0.1345 16 H 2.1199 1.5022 1.3068 H 1 UNL111111111 0.1504 17 H 0.3625 1.5781 1.3242 H 1 UNL111111111 0.1677 18 H 1.1988 0.2694 2.1764 H 1 UNL111111111 0.1418 19 H 1.1944 0.3569 -2.1664 H 1 UNL111111111 0.1418 20 H 0.3655 1.6336 -1.2607 H 1 UNL111111111 0.1687 21 H 2.1221 1.5506 -1.2502 H 1 UNL111111111 0.1501 22 H -0.1535 -1.4650 -0.9076 H 1 UNL111111111 0.1790 23 H -0.1544 -1.4906 0.8581 H 1 UNL111111111 0.1792 24 H -4.4222 -1.0952 0.0817 H 1 UNL111111111 0.1440 25 H -3.8565 0.4410 0.8526 H 1 UNL111111111 0.1403 26 H -3.9017 0.3057 -0.9396 H 1 UNL111111111 0.1375 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 4 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 10 24 1 24 10 25 1 25 10 26 1