@MOLECULE [(1R,2S)-2-methylcyclopropyl] 5-methylhexanoate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2068 0.0649 -0.1275 C.3 1 UNL11111111 -0.0567 2 C -5.3196 -0.8202 -0.7050 C.3 1 UNL11111111 -0.4604 3 C -4.4775 0.3418 1.3560 C.3 1 UNL11111111 -0.4548 4 C -2.8432 -0.6263 -0.3233 C.3 1 UNL11111111 -0.2873 5 C -1.6813 0.3415 -0.0759 C.3 1 UNL11111111 -0.2507 6 C -0.3420 -0.3549 -0.3344 C.3 1 UNL11111111 -0.3506 7 C 0.7882 0.5995 -0.0966 C.2 1 UNL11111111 0.6093 8 O 0.7471 1.7897 0.0598 O.2 1 UNL11111111 -0.4971 9 O 1.9524 -0.1113 -0.0772 O.3 1 UNL11111111 -0.4219 10 C 3.1474 0.6038 0.1065 C.3 1 UNL11111111 0.0707 11 H 3.0084 1.5896 0.5480 H 1 UNL11111111 0.1713 12 C 4.1992 0.3134 -0.9359 C.3 1 UNL11111111 -0.3763 13 C 4.3177 -0.2990 0.4515 C.3 1 UNL11111111 -0.1488 14 H 5.0822 0.1035 1.1270 H 1 UNL11111111 0.1555 15 C 4.0979 -1.7744 0.6347 C.3 1 UNL11111111 -0.4228 16 H -4.2018 1.0360 -0.6795 H 1 UNL11111111 0.1320 17 H -6.3033 -0.3571 -0.5714 H 1 UNL11111111 0.1444 18 H -5.1812 -0.9893 -1.7780 H 1 UNL11111111 0.1414 19 H -5.3493 -1.7990 -0.2151 H 1 UNL11111111 0.1439 20 H -4.4842 -0.5825 1.9428 H 1 UNL11111111 0.1433 21 H -3.7162 1.0019 1.7867 H 1 UNL11111111 0.1461 22 H -5.4482 0.8287 1.4982 H 1 UNL11111111 0.1417 23 H -2.7656 -1.4986 0.3514 H 1 UNL11111111 0.1393 24 H -2.7801 -1.0316 -1.3511 H 1 UNL11111111 0.1374 25 H -1.7761 1.2371 -0.7227 H 1 UNL11111111 0.1552 26 H -1.7141 0.7278 0.9622 H 1 UNL11111111 0.1515 27 H -0.2318 -1.2516 0.3127 H 1 UNL11111111 0.1782 28 H -0.2894 -0.7366 -1.3770 H 1 UNL11111111 0.1780 29 H 3.9521 -0.3271 -1.7784 H 1 UNL11111111 0.1714 30 H 4.8831 1.0948 -1.2491 H 1 UNL11111111 0.1627 31 H 5.0298 -2.3361 0.4911 H 1 UNL11111111 0.1465 32 H 3.7226 -1.9947 1.6437 H 1 UNL11111111 0.1508 33 H 3.3588 -2.1751 -0.0734 H 1 UNL11111111 0.1567 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 13 14 1 14 10 13 1 15 13 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 15 31 1 32 15 32 1 33 15 33 1