@MOLECULE isopentyl 3,3-dimethylcyclobutanecarboxylate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4150 1.0674 -0.4282 C.3 1 UNL11111111 -0.2938 2 C -3.6894 0.2238 -0.0907 C.3 1 UNL11111111 0.1145 3 C -4.8320 1.0470 0.4777 C.3 1 UNL11111111 -0.4651 4 C -4.1540 -0.6577 -1.2357 C.3 1 UNL11111111 -0.4674 5 C -2.8683 -0.5461 0.9952 C.3 1 UNL11111111 -0.2964 6 C -1.6159 0.3092 0.6682 C.3 1 UNL11111111 -0.2060 7 C -0.4820 -0.4870 0.1086 C.2 1 UNL11111111 0.6026 8 O -0.5210 -1.5449 -0.4660 O.2 1 UNL11111111 -0.5155 9 O 0.6840 0.1680 0.3338 O.3 1 UNL11111111 -0.4402 10 C 1.8787 -0.4685 -0.1422 C.3 1 UNL11111111 -0.0105 11 C 2.9568 0.6007 0.0234 C.3 1 UNL11111111 -0.3169 12 C 4.3435 0.0393 -0.3380 C.3 1 UNL11111111 -0.0538 13 C 5.3121 1.1949 -0.6207 C.3 1 UNL11111111 -0.4554 14 C 4.8908 -0.8347 0.7966 C.3 1 UNL11111111 -0.4551 15 H -2.0425 0.9303 -1.4468 H 1 UNL11111111 0.1522 16 H -2.5147 2.1396 -0.2477 H 1 UNL11111111 0.1480 17 H -5.2771 1.6922 -0.2887 H 1 UNL11111111 0.1480 18 H -5.6299 0.4034 0.8673 H 1 UNL11111111 0.1486 19 H -4.5017 1.6926 1.2997 H 1 UNL11111111 0.1471 20 H -3.3303 -1.2670 -1.6347 H 1 UNL11111111 0.1624 21 H -4.9401 -1.3505 -0.9136 H 1 UNL11111111 0.1489 22 H -4.5538 -0.0635 -2.0647 H 1 UNL11111111 0.1471 23 H -3.2373 -0.4338 2.0158 H 1 UNL11111111 0.1453 24 H -2.7515 -1.6166 0.7911 H 1 UNL11111111 0.1644 25 H -1.2846 0.9564 1.5010 H 1 UNL11111111 0.1714 26 H 2.0533 -1.3624 0.4804 H 1 UNL11111111 0.1329 27 H 1.7361 -0.7748 -1.1932 H 1 UNL11111111 0.1369 28 H 2.7139 1.4742 -0.6123 H 1 UNL11111111 0.1522 29 H 2.9513 0.9874 1.0607 H 1 UNL11111111 0.1563 30 H 4.2559 -0.5828 -1.2622 H 1 UNL11111111 0.1315 31 H 5.4021 1.8640 0.2415 H 1 UNL11111111 0.1454 32 H 6.3160 0.8229 -0.8528 H 1 UNL11111111 0.1441 33 H 4.9803 1.7963 -1.4738 H 1 UNL11111111 0.1428 34 H 4.2317 -1.6839 1.0064 H 1 UNL11111111 0.1443 35 H 5.8770 -1.2393 0.5441 H 1 UNL11111111 0.1434 36 H 4.9988 -0.2649 1.7261 H 1 UNL11111111 0.1458 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 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 1 15 1 16 1 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 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