@MOLECULE isopentyl (1S)-2,2-dimethylcyclopropanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3740 -0.1236 -0.2504 C.3 1 UNL1111111 0.1071 2 C -4.1649 -0.8653 -1.2990 C.3 1 UNL1111111 -0.4504 3 C -3.5421 1.3692 -0.3300 C.3 1 UNL1111111 -0.4602 4 C -3.1722 -0.7695 1.0994 C.3 1 UNL1111111 -0.3159 5 C -2.0087 -0.7225 0.1288 C.3 1 UNL1111111 -0.3122 6 H -1.7023 -1.6497 -0.3758 H 1 UNL1111111 0.1905 7 C -0.8734 0.1696 0.4414 C.2 1 UNL1111111 0.6313 8 O -0.8588 1.1415 1.1559 O.2 1 UNL1111111 -0.5283 9 O 0.2339 -0.2697 -0.2071 O.3 1 UNL1111111 -0.4361 10 C 1.4431 0.4784 -0.0251 C.3 1 UNL1111111 -0.0152 11 C 2.5547 -0.5672 -0.1013 C.3 1 UNL1111111 -0.3157 12 C 3.9310 0.0766 0.1403 C.3 1 UNL1111111 -0.0539 13 C 4.9716 -1.0193 0.4037 C.3 1 UNL1111111 -0.4556 14 C 4.3587 0.9243 -1.0634 C.3 1 UNL1111111 -0.4559 15 H -3.8375 -0.5889 -2.3104 H 1 UNL1111111 0.1566 16 H -4.0654 -1.9540 -1.2117 H 1 UNL1111111 0.1504 17 H -5.2351 -0.6312 -1.2244 H 1 UNL1111111 0.1560 18 H -4.5916 1.6572 -0.1871 H 1 UNL1111111 0.1554 19 H -2.9578 1.9004 0.4390 H 1 UNL1111111 0.1778 20 H -3.2175 1.7601 -1.3027 H 1 UNL1111111 0.1550 21 H -3.1401 -0.1445 1.9923 H 1 UNL1111111 0.1762 22 H -3.6338 -1.7251 1.3289 H 1 UNL1111111 0.1614 23 H 1.4749 1.2078 -0.8518 H 1 UNL1111111 0.1309 24 H 1.4336 1.0145 0.9414 H 1 UNL1111111 0.1469 25 H 2.3638 -1.3607 0.6479 H 1 UNL1111111 0.1538 26 H 2.5309 -1.0800 -1.0811 H 1 UNL1111111 0.1537 27 H 3.8719 0.7341 1.0420 H 1 UNL1111111 0.1323 28 H 5.0523 -1.7095 -0.4427 H 1 UNL1111111 0.1450 29 H 5.9650 -0.5898 0.5718 H 1 UNL1111111 0.1436 30 H 4.7162 -1.6108 1.2895 H 1 UNL1111111 0.1435 31 H 5.3326 1.3951 -0.8902 H 1 UNL1111111 0.1433 32 H 4.4449 0.3173 -1.9709 H 1 UNL1111111 0.1456 33 H 3.6408 1.7248 -1.2700 H 1 UNL1111111 0.1432 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 14 33 1