@MOLECULE cyclohexyl 4-methylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2721 -0.0848 0.4316 C.3 1 UNL111111111 -0.0566 2 C 4.6029 -1.5250 0.0237 C.3 1 UNL111111111 -0.4542 3 C 5.4142 0.8503 0.0120 C.3 1 UNL111111111 -0.4563 4 C 2.9604 0.3900 -0.2189 C.3 1 UNL111111111 -0.2722 5 C 1.7384 -0.2903 0.4026 C.3 1 UNL111111111 -0.3473 6 C 0.4823 0.2713 -0.1945 C.2 1 UNL111111111 0.6173 7 O 0.3622 1.2451 -0.8921 O.2 1 UNL111111111 -0.5184 8 O -0.5697 -0.4984 0.1730 O.3 1 UNL111111111 -0.4740 9 C -1.8754 -0.1226 -0.2988 C.3 1 UNL111111111 0.1612 10 C -2.6906 -1.4115 -0.1373 C.3 1 UNL111111111 -0.3054 11 C -4.1591 -1.1292 -0.4709 C.3 1 UNL111111111 -0.2598 12 C -4.7099 -0.0007 0.4119 C.3 1 UNL111111111 -0.2672 13 C -3.8759 1.2768 0.2426 C.3 1 UNL111111111 -0.2571 14 C -2.4062 1.0103 0.5845 C.3 1 UNL111111111 -0.3226 15 H 4.1646 -0.0400 1.5421 H 1 UNL111111111 0.1285 16 H 5.5489 -1.8542 0.4676 H 1 UNL111111111 0.1412 17 H 3.8280 -2.2262 0.3500 H 1 UNL111111111 0.1407 18 H 4.7004 -1.6216 -1.0633 H 1 UNL111111111 0.1465 19 H 5.5413 0.8651 -1.0761 H 1 UNL111111111 0.1470 20 H 5.2285 1.8796 0.3370 H 1 UNL111111111 0.1441 21 H 6.3677 0.5354 0.4489 H 1 UNL111111111 0.1416 22 H 2.8640 1.4908 -0.1162 H 1 UNL111111111 0.1570 23 H 2.9860 0.2063 -1.3104 H 1 UNL111111111 0.1516 24 H 1.7753 -1.3903 0.2528 H 1 UNL111111111 0.1775 25 H 1.7206 -0.1454 1.5038 H 1 UNL111111111 0.1755 26 H -1.7939 0.1894 -1.3624 H 1 UNL111111111 0.1374 27 H -2.2825 -2.2053 -0.7889 H 1 UNL111111111 0.1452 28 H -2.5912 -1.7917 0.8976 H 1 UNL111111111 0.1541 29 H -4.2614 -0.8573 -1.5384 H 1 UNL111111111 0.1387 30 H -4.7599 -2.0468 -0.3325 H 1 UNL111111111 0.1341 31 H -5.7667 0.1984 0.1571 H 1 UNL111111111 0.1320 32 H -4.7050 -0.3154 1.4723 H 1 UNL111111111 0.1379 33 H -3.9615 1.6515 -0.7955 H 1 UNL111111111 0.1401 34 H -4.2743 2.0804 0.8888 H 1 UNL111111111 0.1351 35 H -2.2969 0.7419 1.6516 H 1 UNL111111111 0.1502 36 H -1.7984 1.9236 0.4333 H 1 UNL111111111 0.1565 @BOND 1 1 2 1 2 1 3 1 3 1 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 11 12 1 12 12 13 1 13 13 14 1 14 9 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1