@MOLECULE [(1S,2R)-2-methylcyclobutyl] 3,3-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9153 -0.7269 -0.4866 C.3 1 UNL11111111 -0.4327 2 C 3.4316 -1.0247 -0.6976 C.3 1 UNL11111111 -0.2787 3 C 2.4856 -0.0038 -0.0117 C.3 1 UNL11111111 0.1411 4 C 2.6962 -0.0109 1.5060 C.3 1 UNL11111111 -0.4720 5 C 2.7177 1.4015 -0.5755 C.3 1 UNL11111111 -0.4728 6 C 1.0403 -0.4660 -0.3349 C.3 1 UNL11111111 -0.3874 7 C -0.0302 0.4054 0.2458 C.2 1 UNL11111111 0.6238 8 O 0.0466 1.4346 0.8626 O.2 1 UNL11111111 -0.5115 9 O -1.2293 -0.1742 -0.0442 O.3 1 UNL11111111 -0.4504 10 C -2.4106 0.5050 0.3303 C.3 1 UNL11111111 0.1187 11 H -2.2404 1.1790 1.1789 H 1 UNL11111111 0.1462 12 C -3.5644 -0.5394 0.4864 C.3 1 UNL11111111 -0.1162 13 H -4.1386 -0.3847 1.4161 H 1 UNL11111111 0.1370 14 C -3.1501 -1.9871 0.3433 C.3 1 UNL11111111 -0.4369 15 C -4.2607 0.0804 -0.7644 C.3 1 UNL11111111 -0.2882 16 C -3.1095 1.1070 -0.9163 C.3 1 UNL11111111 -0.3216 17 H 5.1950 0.2505 -0.8954 H 1 UNL11111111 0.1445 18 H 5.1824 -0.7300 0.5760 H 1 UNL11111111 0.1444 19 H 5.5400 -1.4786 -0.9819 H 1 UNL11111111 0.1367 20 H 3.2175 -1.0488 -1.7835 H 1 UNL11111111 0.1344 21 H 3.2083 -2.0406 -0.3191 H 1 UNL11111111 0.1342 22 H 3.7042 0.3252 1.7711 H 1 UNL11111111 0.1485 23 H 1.9952 0.6711 2.0079 H 1 UNL11111111 0.1678 24 H 2.5558 -1.0077 1.9334 H 1 UNL11111111 0.1416 25 H 2.5736 1.4354 -1.6590 H 1 UNL11111111 0.1415 26 H 2.0299 2.1308 -0.1234 H 1 UNL11111111 0.1710 27 H 3.7321 1.7551 -0.3632 H 1 UNL11111111 0.1480 28 H 0.8992 -0.5142 -1.4370 H 1 UNL11111111 0.1780 29 H 0.8914 -1.5082 0.0236 H 1 UNL11111111 0.1784 30 H -2.5254 -2.3046 1.1879 H 1 UNL11111111 0.1493 31 H -4.0217 -2.6496 0.2984 H 1 UNL11111111 0.1414 32 H -2.5586 -2.1518 -0.5679 H 1 UNL11111111 0.1573 33 H -4.3645 -0.6068 -1.6074 H 1 UNL11111111 0.1447 34 H -5.2388 0.5205 -0.5630 H 1 UNL11111111 0.1380 35 H -3.4030 2.1533 -0.8139 H 1 UNL11111111 0.1469 36 H -2.5319 1.0041 -1.8391 H 1 UNL11111111 0.1550 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 10 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 5 27 1 28 6 28 1 29 6 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1