@MOLECULE 4-methylpentyl cyclopentanecarboxylate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8748 1.1083 -0.7530 C.3 1 UNL111111111 -0.2554 2 C -4.3650 1.4670 -0.6238 C.3 1 UNL111111111 -0.2608 3 C -5.0221 0.3581 0.2233 C.3 1 UNL111111111 -0.2602 4 C -3.8990 -0.5902 0.6808 C.3 1 UNL111111111 -0.2625 5 C -2.5844 0.1699 0.4342 C.3 1 UNL111111111 -0.1795 6 C -1.4579 -0.7670 0.1004 C.2 1 UNL111111111 0.5921 7 O -1.5152 -1.9250 -0.2237 O.2 1 UNL111111111 -0.5132 8 O -0.2790 -0.1063 0.2117 O.3 1 UNL111111111 -0.4428 9 C 0.9086 -0.8582 -0.0755 C.3 1 UNL111111111 -0.0106 10 C 2.0237 0.1852 -0.0210 C.3 1 UNL111111111 -0.2978 11 C 3.3874 -0.4972 -0.1588 C.3 1 UNL111111111 -0.2856 12 C 4.5327 0.5310 -0.2411 C.3 1 UNL111111111 -0.0554 13 C 4.7414 1.2369 1.1037 C.3 1 UNL111111111 -0.4549 14 C 5.8272 -0.1788 -0.6613 C.3 1 UNL111111111 -0.4578 15 H -2.6791 0.6012 -1.7149 H 1 UNL111111111 0.1457 16 H -2.2294 2.0003 -0.7348 H 1 UNL111111111 0.1430 17 H -4.4885 2.4496 -0.1389 H 1 UNL111111111 0.1343 18 H -4.8397 1.5504 -1.6141 H 1 UNL111111111 0.1356 19 H -5.5507 0.7900 1.0889 H 1 UNL111111111 0.1330 20 H -5.7827 -0.1877 -0.3582 H 1 UNL111111111 0.1363 21 H -4.0086 -0.8826 1.7359 H 1 UNL111111111 0.1387 22 H -3.9218 -1.5322 0.0981 H 1 UNL111111111 0.1624 23 H -2.3145 0.7741 1.3342 H 1 UNL111111111 0.1687 24 H 1.0114 -1.6419 0.6942 H 1 UNL111111111 0.1335 25 H 0.8083 -1.3290 -1.0684 H 1 UNL111111111 0.1364 26 H 1.8774 0.9377 -0.8191 H 1 UNL111111111 0.1504 27 H 1.9623 0.7506 0.9296 H 1 UNL111111111 0.1549 28 H 3.5611 -1.1818 0.6924 H 1 UNL111111111 0.1419 29 H 3.3990 -1.1328 -1.0655 H 1 UNL111111111 0.1399 30 H 4.2769 1.2959 -1.0134 H 1 UNL111111111 0.1294 31 H 4.9627 0.5211 1.9025 H 1 UNL111111111 0.1453 32 H 5.5764 1.9440 1.0548 H 1 UNL111111111 0.1420 33 H 3.8521 1.8015 1.4033 H 1 UNL111111111 0.1431 34 H 5.7227 -0.6592 -1.6397 H 1 UNL111111111 0.1422 35 H 6.6608 0.5280 -0.7308 H 1 UNL111111111 0.1426 36 H 6.1128 -0.9522 0.0596 H 1 UNL111111111 0.1452 @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 12 13 1 14 12 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 11 28 1 29 11 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