@MOLECULE 3-methylbutyl 2-methylpentanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9107 0.4649 -0.1780 C.3 1 UNL11111111111111 -0.1605 2 H -1.7874 0.6569 -1.2746 H 1 UNL11111111111111 0.1682 3 C -1.8916 1.7963 0.5755 C.3 1 UNL11111111111111 -0.4379 4 C -3.2057 -0.3236 0.0661 C.3 1 UNL11111111111111 -0.2739 5 C -4.3923 0.2983 -0.6790 C.3 1 UNL11111111111111 -0.2452 6 C -5.6767 -0.4771 -0.3851 C.3 1 UNL11111111111111 -0.4390 7 C -0.7404 -0.3579 0.3107 C.2 1 UNL11111111111111 0.5941 8 O -0.7551 -1.3181 1.0360 O.2 1 UNL11111111111111 -0.5159 9 O 0.4091 0.1504 -0.1963 O.3 1 UNL11111111111111 -0.4440 10 C 1.6277 -0.4959 0.1984 C.3 1 UNL11111111111111 -0.0103 11 C 2.7170 0.4805 -0.2403 C.3 1 UNL11111111111111 -0.3174 12 C 4.1114 -0.0309 0.1607 C.3 1 UNL11111111111111 -0.0535 13 C 4.5184 -1.2407 -0.6881 C.3 1 UNL11111111111111 -0.4555 14 C 5.1377 1.0963 -0.0118 C.3 1 UNL11111111111111 -0.4553 15 H -2.0101 1.6533 1.6568 H 1 UNL11111111111111 0.1543 16 H -0.9478 2.3337 0.4119 H 1 UNL11111111111111 0.1578 17 H -2.7049 2.4517 0.2424 H 1 UNL11111111111111 0.1529 18 H -3.0725 -1.3778 -0.2516 H 1 UNL11111111111111 0.1532 19 H -3.4170 -0.3781 1.1521 H 1 UNL11111111111111 0.1550 20 H -4.5179 1.3572 -0.3837 H 1 UNL11111111111111 0.1344 21 H -4.1968 0.3071 -1.7679 H 1 UNL11111111111111 0.1334 22 H -5.5968 -1.5226 -0.7043 H 1 UNL11111111111111 0.1453 23 H -5.9086 -0.4776 0.6861 H 1 UNL11111111111111 0.1443 24 H -6.5340 -0.0385 -0.9067 H 1 UNL11111111111111 0.1388 25 H 1.6186 -0.6660 1.2893 H 1 UNL11111111111111 0.1381 26 H 1.6738 -1.4657 -0.3248 H 1 UNL11111111111111 0.1330 27 H 2.6623 0.6455 -1.3329 H 1 UNL11111111111111 0.1543 28 H 2.5264 1.4728 0.2139 H 1 UNL11111111111111 0.1524 29 H 4.0927 -0.3338 1.2361 H 1 UNL11111111111111 0.1319 30 H 5.5241 -1.5876 -0.4264 H 1 UNL11111111111111 0.1442 31 H 3.8348 -2.0841 -0.5438 H 1 UNL11111111111111 0.1441 32 H 4.5231 -0.9986 -1.7564 H 1 UNL11111111111111 0.1461 33 H 4.8967 1.9585 0.6190 H 1 UNL11111111111111 0.1427 34 H 6.1441 0.7612 0.2618 H 1 UNL11111111111111 0.1442 35 H 5.1794 1.4456 -1.0491 H 1 UNL11111111111111 0.1455 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 14 35 1