@MOLECULE 1-[(E)-but-1-enyl]-1-methyl-cyclobutane 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8057 -0.1239 -0.5867 C.3 1 UNL11111111 -0.4299 2 C 2.7954 -0.4724 0.5097 C.3 1 UNL11111111 -0.2604 3 C 1.5067 0.2520 0.2813 C.2 1 UNL11111111 -0.1490 4 C 0.3242 -0.3682 0.2570 C.2 1 UNL11111111 -0.2019 5 C -0.9907 0.2924 0.0261 C.3 1 UNL11111111 0.0749 6 C -0.9352 1.8076 -0.0591 C.3 1 UNL11111111 -0.4584 7 C -1.7720 -0.3672 -1.1644 C.3 1 UNL11111111 -0.2947 8 C -2.8548 -0.8761 -0.1807 C.3 1 UNL11111111 -0.2741 9 C -2.0989 -0.2294 1.0067 C.3 1 UNL11111111 -0.2957 10 H 4.7461 -0.6674 -0.4477 H 1 UNL11111111 0.1397 11 H 3.4161 -0.3821 -1.5785 H 1 UNL11111111 0.1469 12 H 4.0387 0.9465 -0.5937 H 1 UNL11111111 0.1422 13 H 2.6455 -1.5699 0.5463 H 1 UNL11111111 0.1408 14 H 3.2038 -0.1967 1.5049 H 1 UNL11111111 0.1449 15 H 1.6107 1.3252 0.1361 H 1 UNL11111111 0.1459 16 H 0.2530 -1.4478 0.4018 H 1 UNL11111111 0.1468 17 H -0.3112 2.1383 -0.8981 H 1 UNL11111111 0.1486 18 H -1.9327 2.2386 -0.2067 H 1 UNL11111111 0.1487 19 H -0.5234 2.2421 0.8598 H 1 UNL11111111 0.1493 20 H -2.1304 0.3430 -1.9108 H 1 UNL11111111 0.1408 21 H -1.2198 -1.1525 -1.6837 H 1 UNL11111111 0.1411 22 H -3.8522 -0.4668 -0.3570 H 1 UNL11111111 0.1361 23 H -2.9399 -1.9637 -0.1248 H 1 UNL11111111 0.1365 24 H -1.7405 -0.9336 1.7591 H 1 UNL11111111 0.1403 25 H -2.6476 0.5611 1.5209 H 1 UNL11111111 0.1405 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 8 9 1 9 5 9 1 10 1 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 4 16 1 17 6 17 1 18 6 18 1 19 6 19 1 20 7 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1