@MOLECULE (1S,2S)-1-[(E)-but-1-enyl]-2-methyl-cyclopropane 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8409 0.0216 -0.4360 C.3 1 UNL11111111 -0.4298 2 C 2.7165 0.2482 0.5776 C.3 1 UNL11111111 -0.2581 3 C 1.3943 0.3398 -0.1135 C.2 1 UNL11111111 -0.1517 4 C 0.3304 -0.3802 0.2579 C.2 1 UNL11111111 -0.1722 5 C -0.9746 -0.2598 -0.4132 C.3 1 UNL11111111 -0.1726 6 H -0.9179 0.1357 -1.4347 H 1 UNL11111111 0.1593 7 C -2.0653 -1.2732 -0.1152 C.3 1 UNL11111111 -0.3393 8 C -2.1856 0.1302 0.4325 C.3 1 UNL11111111 -0.1223 9 H -2.0258 0.2763 1.5071 H 1 UNL11111111 0.1532 10 C -3.2064 1.0755 -0.1382 C.3 1 UNL11111111 -0.4351 11 H 3.9166 0.8526 -1.1459 H 1 UNL11111111 0.1428 12 H 4.8105 -0.0786 0.0628 H 1 UNL11111111 0.1396 13 H 3.6704 -0.8927 -1.0169 H 1 UNL11111111 0.1473 14 H 2.7249 -0.5627 1.3335 H 1 UNL11111111 0.1410 15 H 2.9007 1.1845 1.1467 H 1 UNL11111111 0.1455 16 H 1.3560 1.0439 -0.9425 H 1 UNL11111111 0.1449 17 H 0.3737 -1.0871 1.0852 H 1 UNL11111111 0.1471 18 H -2.7195 -1.6004 -0.9168 H 1 UNL11111111 0.1569 19 H -1.8640 -2.0990 0.5597 H 1 UNL11111111 0.1561 20 H -4.1744 0.9649 0.3692 H 1 UNL11111111 0.1495 21 H -2.8864 2.1197 -0.0178 H 1 UNL11111111 0.1504 22 H -3.3804 0.9093 -1.2085 H 1 UNL11111111 0.1475 @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 8 1 10 8 10 1 11 1 11 1 12 1 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 4 17 1 18 7 18 1 19 7 19 1 20 10 20 1 21 10 21 1 22 10 22 1