@MOLECULE 3,3-dimethylbutyl cyclopentanecarboxylate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7103 -1.2352 0.3891 C.3 1 UNL11111111 -0.2555 2 C -4.2353 -1.4106 0.2990 C.3 1 UNL11111111 -0.2612 3 C -4.8187 -0.0463 -0.1211 C.3 1 UNL11111111 -0.2600 4 C -3.6313 0.8891 -0.4138 C.3 1 UNL11111111 -0.2635 5 C -2.3913 -0.0171 -0.4996 C.3 1 UNL11111111 -0.1783 6 C -1.1584 0.6831 -0.0006 C.2 1 UNL11111111 0.5928 7 O -1.0795 1.7154 0.6142 O.2 1 UNL11111111 -0.5153 8 O -0.0630 -0.0384 -0.3419 O.3 1 UNL11111111 -0.4450 9 C 1.2038 0.4862 0.0868 C.3 1 UNL11111111 -0.0042 10 C 2.1959 -0.5999 -0.3188 C.3 1 UNL11111111 -0.3280 11 C 3.6609 -0.2191 -0.0150 C.3 1 UNL11111111 0.1339 12 C 3.8491 0.0768 1.4804 C.3 1 UNL11111111 -0.4681 13 C 4.5496 -1.4152 -0.4050 C.3 1 UNL11111111 -0.4685 14 C 4.0822 1.0064 -0.8400 C.3 1 UNL11111111 -0.4677 15 H -2.4012 -1.0544 1.4341 H 1 UNL11111111 0.1454 16 H -2.1672 -2.1333 0.0561 H 1 UNL11111111 0.1432 17 H -4.4948 -2.1883 -0.4386 H 1 UNL11111111 0.1343 18 H -4.6541 -1.7469 1.2605 H 1 UNL11111111 0.1353 19 H -5.4631 -0.1541 -1.0086 H 1 UNL11111111 0.1328 20 H -5.4579 0.3722 0.6733 H 1 UNL11111111 0.1361 21 H -3.7790 1.4646 -1.3402 H 1 UNL11111111 0.1386 22 H -3.5152 1.6374 0.3948 H 1 UNL11111111 0.1625 23 H -2.2307 -0.3510 -1.5532 H 1 UNL11111111 0.1682 24 H 1.3690 1.4458 -0.4313 H 1 UNL11111111 0.1345 25 H 1.1671 0.6550 1.1766 H 1 UNL11111111 0.1366 26 H 1.9370 -1.5449 0.1978 H 1 UNL11111111 0.1529 27 H 2.0814 -0.8179 -1.3993 H 1 UNL11111111 0.1547 28 H 3.4997 -0.7553 2.1000 H 1 UNL11111111 0.1460 29 H 4.9048 0.2448 1.7198 H 1 UNL11111111 0.1465 30 H 3.3030 0.9742 1.7892 H 1 UNL11111111 0.1473 31 H 4.4610 -1.6492 -1.4707 H 1 UNL11111111 0.1445 32 H 5.6052 -1.2077 -0.2023 H 1 UNL11111111 0.1458 33 H 4.2792 -2.3150 0.1567 H 1 UNL11111111 0.1444 34 H 3.5335 1.9057 -0.5420 H 1 UNL11111111 0.1467 35 H 5.1485 1.2209 -0.7119 H 1 UNL11111111 0.1463 36 H 3.9047 0.8489 -1.9089 H 1 UNL11111111 0.1458 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 14 36 1