@MOLECULE [2-[(1S,2R)-2-methylcyclopropyl]acetyl] pentanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.4340 0.2027 -0.0032 C.3 1 UNL11111111 -0.4385 2 C 5.0891 0.9205 -0.1132 C.3 1 UNL11111111 -0.2481 3 C 3.9336 -0.0749 0.0426 C.3 1 UNL11111111 -0.2570 4 C 2.5845 0.6394 -0.0772 C.3 1 UNL11111111 -0.3529 5 C 1.4697 -0.3174 0.2111 C.2 1 UNL11111111 0.6413 6 O 1.5134 -1.4285 0.6447 O.2 1 UNL11111111 -0.4313 7 O 0.2767 0.3305 -0.0319 O.3 1 UNL11111111 -0.5682 8 C -0.9232 -0.3408 -0.1804 C.2 1 UNL11111111 0.6394 9 O -0.9718 -1.4831 -0.5164 O.2 1 UNL11111111 -0.4140 10 C -2.0257 0.6394 0.0857 C.3 1 UNL11111111 -0.3436 11 C -3.3630 -0.0547 0.0615 C.3 1 UNL11111111 -0.1555 12 H -3.3608 -1.0004 0.6208 H 1 UNL11111111 0.1740 13 C -4.2396 0.0313 -1.1699 C.3 1 UNL11111111 -0.3337 14 C -4.6300 0.7876 0.0815 C.3 1 UNL11111111 -0.1320 15 H -4.5253 1.8780 0.0747 H 1 UNL11111111 0.1494 16 C -5.8055 0.3234 0.8972 C.3 1 UNL11111111 -0.4346 17 H 7.2695 0.9036 -0.1068 H 1 UNL11111111 0.1396 18 H 6.5443 -0.2978 0.9661 H 1 UNL11111111 0.1460 19 H 6.5479 -0.5606 -0.7815 H 1 UNL11111111 0.1458 20 H 5.0199 1.7096 0.6595 H 1 UNL11111111 0.1335 21 H 5.0179 1.4419 -1.0867 H 1 UNL11111111 0.1343 22 H 4.0109 -0.8754 -0.7199 H 1 UNL11111111 0.1527 23 H 4.0069 -0.5961 1.0188 H 1 UNL11111111 0.1568 24 H 2.5257 1.4989 0.6257 H 1 UNL11111111 0.1790 25 H 2.4592 1.0836 -1.0880 H 1 UNL11111111 0.1796 26 H -1.8635 1.1301 1.0732 H 1 UNL11111111 0.1854 27 H -1.9732 1.4675 -0.6560 H 1 UNL11111111 0.1829 28 H -3.8987 0.5719 -2.0464 H 1 UNL11111111 0.1558 29 H -4.8102 -0.8414 -1.4768 H 1 UNL11111111 0.1637 30 H -5.9170 -0.7685 0.8903 H 1 UNL11111111 0.1519 31 H -5.7074 0.6326 1.9465 H 1 UNL11111111 0.1495 32 H -6.7444 0.7457 0.5144 H 1 UNL11111111 0.1488 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 14 15 1 15 11 14 1 16 14 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 10 26 1 27 10 27 1 28 13 28 1 29 13 29 1 30 16 30 1 31 16 31 1 32 16 32 1