@MOLECULE 4-methylpentyl cyclobutanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3663 -1.4449 0.2579 C.3 1 UNL1111111111 -0.2557 2 C -4.7893 -0.8357 0.3606 C.3 1 UNL1111111111 -0.2700 3 C -4.3320 0.3811 -0.4858 C.3 1 UNL1111111111 -0.2599 4 C -2.9155 -0.2429 -0.6240 C.3 1 UNL1111111111 -0.2058 5 C -1.8369 0.5745 0.0084 C.2 1 UNL1111111111 0.5992 6 O -1.9467 1.5082 0.7609 O.2 1 UNL1111111111 -0.5110 7 O -0.6279 0.1084 -0.3910 O.3 1 UNL1111111111 -0.4399 8 C 0.5223 0.7768 0.1455 C.3 1 UNL1111111111 -0.0123 9 C 1.6973 -0.0602 -0.3565 C.3 1 UNL1111111111 -0.2971 10 C 3.0117 0.5275 0.1636 C.3 1 UNL1111111111 -0.2854 11 C 4.2248 -0.2946 -0.3132 C.3 1 UNL1111111111 -0.0556 12 C 5.5087 0.5239 -0.1235 C.3 1 UNL1111111111 -0.4577 13 C 4.3301 -1.6143 0.4601 C.3 1 UNL1111111111 -0.4546 14 H -2.8412 -1.5340 1.2132 H 1 UNL1111111111 0.1489 15 H -3.3150 -2.4121 -0.2481 H 1 UNL1111111111 0.1455 16 H -5.5753 -1.4388 -0.0993 H 1 UNL1111111111 0.1399 17 H -5.1020 -0.5853 1.3778 H 1 UNL1111111111 0.1458 18 H -4.8624 0.5117 -1.4309 H 1 UNL1111111111 0.1424 19 H -4.3507 1.3369 0.0530 H 1 UNL1111111111 0.1643 20 H -2.6485 -0.5312 -1.6570 H 1 UNL1111111111 0.1714 21 H 0.5308 1.8109 -0.2391 H 1 UNL1111111111 0.1341 22 H 0.4473 0.7953 1.2468 H 1 UNL1111111111 0.1364 23 H 1.5773 -1.1110 -0.0277 H 1 UNL1111111111 0.1537 24 H 1.6927 -0.0963 -1.4631 H 1 UNL1111111111 0.1517 25 H 3.1143 1.5747 -0.1810 H 1 UNL1111111111 0.1400 26 H 3.0026 0.5729 1.2689 H 1 UNL1111111111 0.1423 27 H 4.1035 -0.5217 -1.4000 H 1 UNL1111111111 0.1298 28 H 5.6625 0.7915 0.9272 H 1 UNL1111111111 0.1451 29 H 6.3890 -0.0397 -0.4503 H 1 UNL1111111111 0.1427 30 H 5.4814 1.4530 -0.7025 H 1 UNL1111111111 0.1421 31 H 4.4564 -1.4414 1.5343 H 1 UNL1111111111 0.1451 32 H 3.4327 -2.2283 0.3286 H 1 UNL1111111111 0.1432 33 H 5.1860 -2.2062 0.1192 H 1 UNL1111111111 0.1416 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1