@MOLECULE 1-[(E)-hept-1-enyl]-3-methyl-cyclobutane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5053 0.9761 0.1216 C.3 1 UNL11111111 -0.3009 2 C -4.1842 -0.3500 0.5731 C.3 1 UNL11111111 -0.0822 3 H -4.2520 -0.4397 1.6703 H 1 UNL11111111 0.1314 4 C -5.5272 -0.6298 -0.0714 C.3 1 UNL11111111 -0.4524 5 C -2.9936 -1.1572 -0.0221 C.3 1 UNL11111111 -0.3002 6 C -2.3104 0.1701 -0.4751 C.3 1 UNL11111111 -0.1148 7 H -2.2497 0.2592 -1.5737 H 1 UNL11111111 0.1387 8 C -1.0077 0.4342 0.1863 C.2 1 UNL11111111 -0.1815 9 C 0.1018 0.7257 -0.4987 C.2 1 UNL11111111 -0.1558 10 C 1.4201 0.9883 0.1547 C.3 1 UNL11111111 -0.2799 11 C 2.4568 -0.0368 -0.3317 C.3 1 UNL11111111 -0.2643 12 C 3.8371 0.2514 0.2700 C.3 1 UNL11111111 -0.2733 13 C 4.8643 -0.7739 -0.2294 C.3 1 UNL11111111 -0.2507 14 C 6.2632 -0.4487 0.2934 C.3 1 UNL11111111 -0.4402 15 H -4.0692 1.5491 -0.6157 H 1 UNL11111111 0.1411 16 H -3.2369 1.6477 0.9388 H 1 UNL11111111 0.1412 17 H -5.4764 -0.5649 -1.1648 H 1 UNL11111111 0.1474 18 H -5.8868 -1.6344 0.1805 H 1 UNL11111111 0.1450 19 H -6.2857 0.0873 0.2645 H 1 UNL11111111 0.1451 20 H -2.4264 -1.7327 0.7114 H 1 UNL11111111 0.1416 21 H -3.2588 -1.8247 -0.8431 H 1 UNL11111111 0.1411 22 H -1.0182 0.3708 1.2729 H 1 UNL11111111 0.1473 23 H 0.1110 0.7868 -1.5856 H 1 UNL11111111 0.1431 24 H 1.7590 2.0173 -0.0861 H 1 UNL11111111 0.1466 25 H 1.3451 0.9527 1.2591 H 1 UNL11111111 0.1431 26 H 2.1273 -1.0575 -0.0599 H 1 UNL11111111 0.1409 27 H 2.5143 -0.0218 -1.4362 H 1 UNL11111111 0.1373 28 H 4.1629 1.2738 0.0031 H 1 UNL11111111 0.1365 29 H 3.7859 0.2282 1.3743 H 1 UNL11111111 0.1366 30 H 4.5676 -1.7911 0.0890 H 1 UNL11111111 0.1341 31 H 4.8719 -0.7941 -1.3357 H 1 UNL11111111 0.1338 32 H 6.9978 -1.1830 -0.0549 H 1 UNL11111111 0.1400 33 H 6.5987 0.5376 -0.0460 H 1 UNL11111111 0.1420 34 H 6.2917 -0.4475 1.3885 H 1 UNL11111111 0.1423 @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 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 1 15 1 16 1 16 1 17 4 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 8 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1