@MOLECULE 1,1-dimethylpropyl cyclopentanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9057 1.0122 -0.7310 C.3 1 UNL11111111 -0.3162 2 C -3.4352 1.1490 -0.6370 C.3 1 UNL11111111 -0.4689 3 C -3.9340 0.0164 0.2842 C.3 1 UNL11111111 -0.2222 4 C -2.6956 -0.7696 0.7499 C.3 1 UNL11111111 -0.5107 5 C -1.4973 0.1553 0.4826 C.3 1 UNL11111111 0.2432 6 C -0.2451 -0.6263 0.1791 C.2 1 UNL11111111 0.1074 7 O -0.1382 -1.8200 0.0628 O.2 1 UNL11111111 -0.2969 8 O 0.7775 0.2433 0.0500 O.3 1 UNL11111111 -0.3451 9 C 2.1056 -0.2071 -0.2761 C.3 1 UNL11111111 0.7137 10 C 2.6080 -1.1544 0.8064 C.3 1 UNL11111111 -1.0123 11 C 2.0815 -0.8687 -1.6539 C.3 1 UNL11111111 -1.1128 12 C 2.8847 1.1255 -0.3309 C.3 1 UNL11111111 -0.3048 13 C 2.9214 1.8464 1.0138 C.3 1 UNL11111111 -0.6607 14 H -1.6162 0.5197 -1.6761 H 1 UNL11111111 0.1865 15 H -1.3967 1.9886 -0.7250 H 1 UNL11111111 0.1313 16 H -3.7152 2.1339 -0.2283 H 1 UNL11111111 0.1815 17 H -3.8995 1.0869 -1.6339 H 1 UNL11111111 0.1774 18 H -4.4819 0.4307 1.1462 H 1 UNL11111111 0.1474 19 H -4.6424 -0.6427 -0.2424 H 1 UNL11111111 0.1530 20 H -2.7615 -1.0572 1.8101 H 1 UNL11111111 0.1862 21 H -2.5942 -1.7163 0.1842 H 1 UNL11111111 0.2251 22 H -1.3131 0.8129 1.3656 H 1 UNL11111111 0.1367 23 H 2.1004 -2.1294 0.7523 H 1 UNL11111111 0.2990 24 H 3.6830 -1.3351 0.7121 H 1 UNL11111111 0.2816 25 H 2.4183 -0.7525 1.8086 H 1 UNL11111111 0.2876 26 H 1.6115 -0.2202 -2.4010 H 1 UNL11111111 0.2617 27 H 3.0912 -1.1106 -1.9989 H 1 UNL11111111 0.2869 28 H 1.5084 -1.8078 -1.6343 H 1 UNL11111111 0.3436 29 H 3.9114 0.9266 -0.6887 H 1 UNL11111111 0.1548 30 H 2.4136 1.7834 -1.0889 H 1 UNL11111111 0.1397 31 H 1.9087 1.9850 1.4144 H 1 UNL11111111 0.2116 32 H 3.4984 1.2892 1.7595 H 1 UNL11111111 0.2050 33 H 3.3764 2.8384 0.9186 H 1 UNL11111111 0.1899 @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 9 11 1 12 9 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1