@MOLECULE [(1S,2R)-2-methylcyclobutyl] 5-methylhexanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.5197 -0.1572 -0.1890 C.3 1 UNL11111111 -0.0567 2 C -5.6317 -1.0791 0.3300 C.3 1 UNL11111111 -0.4605 3 C -4.7794 1.2788 0.2796 C.3 1 UNL11111111 -0.4547 4 C -3.1537 -0.6692 0.3091 C.3 1 UNL11111111 -0.2872 5 C -1.9929 0.0801 -0.3530 C.3 1 UNL11111111 -0.2522 6 C -0.6485 -0.4863 0.1143 C.3 1 UNL11111111 -0.3501 7 C 0.4701 0.3999 -0.3453 C.2 1 UNL11111111 0.6091 8 O 0.3978 1.4669 -0.8955 O.2 1 UNL11111111 -0.5077 9 O 1.6552 -0.1897 -0.0356 O.3 1 UNL11111111 -0.4424 10 C 2.8424 0.5263 -0.3199 C.3 1 UNL11111111 0.1153 11 H 2.7043 1.2148 -1.1633 H 1 UNL11111111 0.1465 12 C 4.0323 -0.4811 -0.4333 C.3 1 UNL11111111 -0.1155 13 H 4.6403 -0.3029 -1.3366 H 1 UNL11111111 0.1377 14 C 3.6565 -1.9411 -0.3146 C.3 1 UNL11111111 -0.4369 15 C 4.6553 0.1485 0.8509 C.3 1 UNL11111111 -0.2874 16 C 3.4528 1.1186 0.9760 C.3 1 UNL11111111 -0.3210 17 H -4.5275 -0.1794 -1.3054 H 1 UNL11111111 0.1303 18 H -6.6180 -0.7340 0.0017 H 1 UNL11111111 0.1441 19 H -5.5061 -2.1040 -0.0332 H 1 UNL11111111 0.1405 20 H -5.6446 -1.1134 1.4245 H 1 UNL11111111 0.1443 21 H -4.0490 1.9778 -0.1433 H 1 UNL11111111 0.1475 22 H -5.7734 1.6223 -0.0259 H 1 UNL11111111 0.1414 23 H -4.7234 1.3617 1.3699 H 1 UNL11111111 0.1441 24 H -3.0962 -0.5679 1.4088 H 1 UNL11111111 0.1392 25 H -3.0695 -1.7525 0.0994 H 1 UNL11111111 0.1363 26 H -2.0693 0.0208 -1.4560 H 1 UNL11111111 0.1481 27 H -2.0487 1.1632 -0.1160 H 1 UNL11111111 0.1592 28 H -0.6187 -0.5701 1.2223 H 1 UNL11111111 0.1771 29 H -0.5005 -1.5211 -0.2602 H 1 UNL11111111 0.1764 30 H 3.0550 -2.2673 -1.1726 H 1 UNL11111111 0.1498 31 H 4.5451 -2.5803 -0.2626 H 1 UNL11111111 0.1422 32 H 3.0552 -2.1322 0.5847 H 1 UNL11111111 0.1566 33 H 4.7634 -0.5455 1.6871 H 1 UNL11111111 0.1448 34 H 5.6184 0.6362 0.6894 H 1 UNL11111111 0.1385 35 H 3.7015 2.1797 0.9220 H 1 UNL11111111 0.1479 36 H 2.8358 0.9576 1.8650 H 1 UNL11111111 0.1552 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 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 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 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