@MOLECULE (2S)-2-[(Z)-but-1-enyl]-1,1-dimethyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4591 -0.1550 -0.8385 C.3 1 UNL11111111 -0.4270 2 C 2.3583 -0.6024 0.1279 C.3 1 UNL11111111 -0.2602 3 C 1.7922 0.5826 0.8430 C.2 1 UNL11111111 -0.1660 4 C 0.5910 1.1205 0.6060 C.2 1 UNL11111111 -0.1680 5 C -0.3640 0.6296 -0.4171 C.3 1 UNL11111111 -0.1496 6 H 0.1625 0.3793 -1.3570 H 1 UNL11111111 0.1470 7 C -1.3310 -0.5315 0.0446 C.3 1 UNL11111111 0.1028 8 C -1.2763 -1.7471 -0.8676 C.3 1 UNL11111111 -0.4673 9 C -1.1947 -0.9373 1.5009 C.3 1 UNL11111111 -0.4609 10 C -2.5527 0.4017 -0.2319 C.3 1 UNL11111111 -0.3080 11 C -1.6021 1.5410 -0.6681 C.3 1 UNL11111111 -0.2862 12 H 3.0638 0.5368 -1.5916 H 1 UNL11111111 0.1458 13 H 4.2689 0.3618 -0.3115 H 1 UNL11111111 0.1432 14 H 3.8954 -1.0090 -1.3668 H 1 UNL11111111 0.1392 15 H 1.5736 -1.1575 -0.4246 H 1 UNL11111111 0.1440 16 H 2.7668 -1.3269 0.8619 H 1 UNL11111111 0.1402 17 H 2.4534 1.0047 1.5997 H 1 UNL11111111 0.1407 18 H 0.2489 1.9832 1.1788 H 1 UNL11111111 0.1436 19 H -0.3325 -2.2920 -0.7512 H 1 UNL11111111 0.1461 20 H -2.0889 -2.4477 -0.6416 H 1 UNL11111111 0.1496 21 H -1.3683 -1.4683 -1.9236 H 1 UNL11111111 0.1472 22 H -1.2511 -0.0692 2.1690 H 1 UNL11111111 0.1508 23 H -1.9857 -1.6349 1.7967 H 1 UNL11111111 0.1452 24 H -0.2290 -1.4229 1.6879 H 1 UNL11111111 0.1509 25 H -3.2251 0.0450 -1.0139 H 1 UNL11111111 0.1395 26 H -3.1548 0.6270 0.6503 H 1 UNL11111111 0.1407 27 H -1.6471 2.4326 -0.0388 H 1 UNL11111111 0.1396 28 H -1.7187 1.8571 -1.7068 H 1 UNL11111111 0.1369 @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 7 9 1 9 7 10 1 10 10 11 1 11 5 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 4 18 1 19 8 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1