@MOLECULE isopentyl 3-methylcyclobutanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6959 -1.3186 -0.0259 C.3 1 UNL11111111 -0.2784 2 C -4.0190 -0.4997 -0.1249 C.3 1 UNL11111111 -0.0756 3 H -4.7979 -1.0155 -0.7108 H 1 UNL11111111 0.1333 4 C -4.5651 -0.0234 1.2048 C.3 1 UNL11111111 -0.4545 5 C -3.2687 0.5927 -0.9447 C.3 1 UNL11111111 -0.2822 6 C -1.9598 -0.2386 -0.8691 C.3 1 UNL11111111 -0.2053 7 H -1.6032 -0.6097 -1.8469 H 1 UNL11111111 0.1711 8 C -0.8644 0.4430 -0.1155 C.2 1 UNL11111111 0.6016 9 O -0.9405 1.3881 0.6274 O.2 1 UNL11111111 -0.5143 10 O 0.3162 -0.1688 -0.3823 O.3 1 UNL11111111 -0.4404 11 C 1.4749 0.3788 0.2635 C.3 1 UNL11111111 -0.0103 12 C 2.6013 -0.5709 -0.1376 C.3 1 UNL11111111 -0.3157 13 C 3.9527 -0.0727 0.4037 C.3 1 UNL11111111 -0.0541 14 C 4.9883 -1.2013 0.3200 C.3 1 UNL11111111 -0.4553 15 C 4.4453 1.1440 -0.3885 C.3 1 UNL11111111 -0.4553 16 H -2.3158 -1.4431 0.9918 H 1 UNL11111111 0.1523 17 H -2.7322 -2.3039 -0.4952 H 1 UNL11111111 0.1450 18 H -3.7943 0.4845 1.8017 H 1 UNL11111111 0.1600 19 H -5.3860 0.6905 1.0664 H 1 UNL11111111 0.1477 20 H -4.9462 -0.8581 1.8042 H 1 UNL11111111 0.1453 21 H -3.6482 0.7477 -1.9557 H 1 UNL11111111 0.1419 22 H -3.2117 1.5685 -0.4468 H 1 UNL11111111 0.1671 23 H 1.6198 1.4077 -0.1086 H 1 UNL11111111 0.1349 24 H 1.3004 0.4037 1.3530 H 1 UNL11111111 0.1351 25 H 2.3827 -1.5877 0.2429 H 1 UNL11111111 0.1521 26 H 2.6368 -0.6750 -1.2391 H 1 UNL11111111 0.1560 27 H 3.8305 0.2188 1.4755 H 1 UNL11111111 0.1315 28 H 5.1296 -1.5404 -0.7119 H 1 UNL11111111 0.1456 29 H 5.9642 -0.8721 0.6933 H 1 UNL11111111 0.1441 30 H 4.6853 -2.0690 0.9154 H 1 UNL11111111 0.1427 31 H 5.4141 1.4936 -0.0154 H 1 UNL11111111 0.1437 32 H 4.5692 0.9074 -1.4509 H 1 UNL11111111 0.1461 33 H 3.7458 1.9837 -0.3180 H 1 UNL11111111 0.1445 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1