@MOLECULE 4-methylpentanoyl (1R,2S)-2-methylcyclobutanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4265 -1.2219 -0.2688 C.3 1 UNL11111111 -0.0586 2 H 3.3865 -2.3024 -0.0428 H 1 UNL11111111 0.1373 3 C 3.0497 -0.9633 -1.7106 C.3 1 UNL11111111 -0.4662 4 C 4.7589 -0.5581 0.1906 C.3 1 UNL11111111 -0.2912 5 C 3.9886 0.2802 1.2408 C.3 1 UNL11111111 -0.2611 6 C 2.6524 -0.3830 0.8088 C.3 1 UNL11111111 -0.2315 7 H 2.1926 -1.0150 1.5907 H 1 UNL11111111 0.1727 8 C 1.6657 0.5832 0.2436 C.2 1 UNL11111111 0.6369 9 O 1.8435 1.6625 -0.2337 O.2 1 UNL11111111 -0.4296 10 O 0.4083 0.0402 0.4070 O.3 1 UNL11111111 -0.5589 11 C -0.7363 0.5518 -0.1664 C.2 1 UNL11111111 0.6325 12 O -0.7207 1.3752 -1.0288 O.2 1 UNL11111111 -0.4262 13 C -1.9016 -0.1536 0.4586 C.3 1 UNL11111111 -0.3475 14 C -3.2125 0.3831 -0.1199 C.3 1 UNL11111111 -0.2736 15 C -4.4295 -0.3678 0.4509 C.3 1 UNL11111111 -0.0565 16 C -5.7096 0.4074 0.1137 C.3 1 UNL11111111 -0.4562 17 C -4.5174 -1.7889 -0.1178 C.3 1 UNL11111111 -0.4554 18 H 3.7337 -1.4778 -2.3970 H 1 UNL11111111 0.1532 19 H 2.0341 -1.3145 -1.9336 H 1 UNL11111111 0.1539 20 H 3.0854 0.1068 -1.9649 H 1 UNL11111111 0.1685 21 H 5.4902 -1.2535 0.6063 H 1 UNL11111111 0.1388 22 H 5.2577 0.0347 -0.5814 H 1 UNL11111111 0.1517 23 H 4.2693 0.0890 2.2791 H 1 UNL11111111 0.1426 24 H 4.0322 1.3630 1.0697 H 1 UNL11111111 0.1629 25 H -1.8097 -1.2485 0.2877 H 1 UNL11111111 0.1802 26 H -1.8742 -0.0298 1.5624 H 1 UNL11111111 0.1781 27 H -3.3008 1.4672 0.0959 H 1 UNL11111111 0.1533 28 H -3.2039 0.3107 -1.2257 H 1 UNL11111111 0.1569 29 H -4.3317 -0.4291 1.5616 H 1 UNL11111111 0.1283 30 H -5.8382 0.5195 -0.9686 H 1 UNL11111111 0.1482 31 H -6.5977 -0.1060 0.4970 H 1 UNL11111111 0.1420 32 H -5.6981 1.4115 0.5513 H 1 UNL11111111 0.1446 33 H -5.3993 -2.3142 0.2647 H 1 UNL11111111 0.1424 34 H -4.5916 -1.7795 -1.2109 H 1 UNL11111111 0.1481 35 H -3.6410 -2.3880 0.1487 H 1 UNL11111111 0.1393 @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 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 15 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 33 17 33 1 34 17 34 1 35 17 35 1