@MOLECULE 2,2-dimethylbutyl 3-methylbutanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6336 -0.0349 -0.1266 C.3 1 UNL11111111 -0.0381 2 C -4.6884 -1.1382 -0.2596 C.3 1 UNL11111111 -0.4572 3 C -3.8285 0.7345 1.1831 C.3 1 UNL11111111 -0.4581 4 C -2.2277 -0.6611 -0.1826 C.3 1 UNL11111111 -0.3696 5 C -1.1771 0.3957 -0.3380 C.2 1 UNL11111111 0.6093 6 O -1.3003 1.5260 -0.7334 O.2 1 UNL11111111 -0.5158 7 O 0.0228 -0.1185 0.0320 O.3 1 UNL11111111 -0.4365 8 C 1.1505 0.7599 -0.0458 C.3 1 UNL11111111 -0.0480 9 C 2.3917 -0.1588 0.0502 C.3 1 UNL11111111 0.0869 10 C 2.2996 -0.9897 1.3349 C.3 1 UNL11111111 -0.4548 11 C 2.4220 -1.0816 -1.1732 C.3 1 UNL11111111 -0.4569 12 C 3.6270 0.7722 0.0765 C.3 1 UNL11111111 -0.2792 13 C 4.9552 0.0194 0.1369 C.3 1 UNL11111111 -0.4298 14 H -3.7408 0.6807 -0.9815 H 1 UNL11111111 0.1509 15 H -5.7009 -0.7205 -0.2151 H 1 UNL11111111 0.1478 16 H -4.5986 -1.6707 -1.2123 H 1 UNL11111111 0.1428 17 H -4.6051 -1.8752 0.5464 H 1 UNL11111111 0.1454 18 H -3.7271 0.0859 2.0586 H 1 UNL11111111 0.1432 19 H -3.0933 1.5446 1.2775 H 1 UNL11111111 0.1562 20 H -4.8214 1.1962 1.2259 H 1 UNL11111111 0.1467 21 H -2.0356 -1.2712 0.7249 H 1 UNL11111111 0.1785 22 H -2.1521 -1.3710 -1.0340 H 1 UNL11111111 0.1757 23 H 1.1184 1.3218 -0.9950 H 1 UNL11111111 0.1411 24 H 1.0767 1.4615 0.8014 H 1 UNL11111111 0.1314 25 H 1.3710 -1.5751 1.3574 H 1 UNL11111111 0.1569 26 H 3.1308 -1.6971 1.4168 H 1 UNL11111111 0.1435 27 H 2.3107 -0.3566 2.2275 H 1 UNL11111111 0.1432 28 H 2.5522 -0.5179 -2.1024 H 1 UNL11111111 0.1436 29 H 3.2394 -1.8071 -1.1078 H 1 UNL11111111 0.1451 30 H 1.4868 -1.6488 -1.2575 H 1 UNL11111111 0.1545 31 H 3.6157 1.4240 -0.8188 H 1 UNL11111111 0.1379 32 H 3.5544 1.4517 0.9482 H 1 UNL11111111 0.1371 33 H 5.0155 -0.6194 1.0251 H 1 UNL11111111 0.1435 34 H 5.0992 -0.6205 -0.7408 H 1 UNL11111111 0.1438 35 H 5.7998 0.7166 0.1764 H 1 UNL11111111 0.1390 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 8 23 1 23 8 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1