@MOLECULE cyclopentyl 2,2-dimethylbutanoate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.4462 0.1167 0.1712 C.3 1 UNL11111111 -0.4322 2 C 3.0850 0.6616 -0.2509 C.3 1 UNL11111111 -0.2644 3 C 1.9076 -0.2541 0.1440 C.3 1 UNL11111111 0.0370 4 C 2.0113 -1.6258 -0.5276 C.3 1 UNL11111111 -0.4508 5 C 1.7858 -0.3968 1.6636 C.3 1 UNL11111111 -0.4528 6 C 0.6357 0.4240 -0.3569 C.2 1 UNL11111111 0.5829 7 O 0.5445 1.5016 -0.8870 O.2 1 UNL11111111 -0.5246 8 O -0.4410 -0.3631 -0.1287 O.3 1 UNL11111111 -0.4572 9 C -1.7216 0.1312 -0.5406 C.3 1 UNL11111111 0.1545 10 C -2.6162 -1.1174 -0.6189 C.3 1 UNL11111111 -0.3041 11 C -3.9061 -0.7798 0.1490 C.3 1 UNL11111111 -0.2601 12 C -3.7941 0.6897 0.6024 C.3 1 UNL11111111 -0.2596 13 C -2.3013 1.0398 0.5523 C.3 1 UNL11111111 -0.3154 14 H 5.2506 0.7886 -0.1522 H 1 UNL11111111 0.1425 15 H 4.5237 0.0154 1.2592 H 1 UNL11111111 0.1424 16 H 4.6465 -0.8662 -0.2694 H 1 UNL11111111 0.1425 17 H 2.9298 1.6683 0.1897 H 1 UNL11111111 0.1530 18 H 3.0697 0.8247 -1.3484 H 1 UNL11111111 0.1509 19 H 2.8912 -2.1753 -0.1737 H 1 UNL11111111 0.1533 20 H 1.1317 -2.2466 -0.3108 H 1 UNL11111111 0.1605 21 H 2.0931 -1.5378 -1.6170 H 1 UNL11111111 0.1512 22 H 1.7484 0.5793 2.1610 H 1 UNL11111111 0.1518 23 H 0.8772 -0.9472 1.9424 H 1 UNL11111111 0.1597 24 H 2.6390 -0.9456 2.0790 H 1 UNL11111111 0.1552 25 H -1.6115 0.6482 -1.5146 H 1 UNL11111111 0.1387 26 H -2.8217 -1.3953 -1.6635 H 1 UNL11111111 0.1413 27 H -2.0989 -1.9851 -0.1680 H 1 UNL11111111 0.1576 28 H -4.7985 -0.9337 -0.4778 H 1 UNL11111111 0.1333 29 H -4.0235 -1.4455 1.0204 H 1 UNL11111111 0.1354 30 H -4.3697 1.3491 -0.0701 H 1 UNL11111111 0.1366 31 H -4.2128 0.8348 1.6100 H 1 UNL11111111 0.1350 32 H -1.8099 0.8325 1.5199 H 1 UNL11111111 0.1539 33 H -2.1236 2.1051 0.3380 H 1 UNL11111111 0.1517 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 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 9 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 5 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1