@MOLECULE [(1R,2R)-2-methylcyclobutyl] 3,3-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0376 0.5686 -0.5255 C.3 1 UNL11111111 -0.4322 2 C 3.5896 0.6077 -1.0116 C.3 1 UNL11111111 -0.2790 3 C 2.5720 0.0223 0.0030 C.3 1 UNL11111111 0.1400 4 C 2.8902 -1.4479 0.2935 C.3 1 UNL11111111 -0.4726 5 C 2.5827 0.8328 1.3033 C.3 1 UNL11111111 -0.4726 6 C 1.1780 0.1307 -0.6711 C.3 1 UNL11111111 -0.3869 7 C 0.0393 -0.2914 0.2044 C.2 1 UNL11111111 0.6271 8 O 0.0343 -0.9173 1.2310 O.2 1 UNL11111111 -0.5111 9 O -1.1139 0.1572 -0.3678 O.3 1 UNL11111111 -0.4623 10 C -2.3361 -0.1446 0.2776 C.3 1 UNL11111111 0.1261 11 H -2.2260 -0.1157 1.3681 H 1 UNL11111111 0.1456 12 C -3.4287 0.7691 -0.3584 C.3 1 UNL11111111 -0.1189 13 H -3.0227 1.3914 -1.1768 H 1 UNL11111111 0.1529 14 C -4.2044 1.6045 0.6345 C.3 1 UNL11111111 -0.4516 15 C -4.1579 -0.5066 -0.8807 C.3 1 UNL11111111 -0.2878 16 C -3.0189 -1.3997 -0.3239 C.3 1 UNL11111111 -0.3222 17 H 5.1704 1.1405 0.3997 H 1 UNL11111111 0.1441 18 H 5.3729 -0.4563 -0.3316 H 1 UNL11111111 0.1446 19 H 5.7134 0.9981 -1.2736 H 1 UNL11111111 0.1367 20 H 3.3132 1.6545 -1.2419 H 1 UNL11111111 0.1345 21 H 3.5126 0.0531 -1.9665 H 1 UNL11111111 0.1344 22 H 3.8517 -1.5554 0.8064 H 1 UNL11111111 0.1480 23 H 2.1304 -1.8965 0.9501 H 1 UNL11111111 0.1714 24 H 2.9324 -2.0447 -0.6220 H 1 UNL11111111 0.1413 25 H 2.3418 1.8855 1.1306 H 1 UNL11111111 0.1424 26 H 1.8563 0.4355 2.0259 H 1 UNL11111111 0.1666 27 H 3.5626 0.7917 1.7913 H 1 UNL11111111 0.1488 28 H 1.0074 1.1746 -1.0151 H 1 UNL11111111 0.1791 29 H 1.1593 -0.4871 -1.5955 H 1 UNL11111111 0.1781 30 H -3.5720 2.3837 1.0789 H 1 UNL11111111 0.1507 31 H -5.0539 2.1057 0.1539 H 1 UNL11111111 0.1491 32 H -4.6070 1.0006 1.4568 H 1 UNL11111111 0.1492 33 H -5.1340 -0.6849 -0.4245 H 1 UNL11111111 0.1426 34 H -4.2776 -0.5440 -1.9649 H 1 UNL11111111 0.1406 35 H -2.4239 -1.9034 -1.0909 H 1 UNL11111111 0.1548 36 H -3.3288 -2.1460 0.4101 H 1 UNL11111111 0.1488 @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