@MOLECULE e-2-octene 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.3515 0.4199 -0.1805 C.3 1 UNL111111111 -0.4442 2 C -3.0418 -0.2713 -0.3418 C.2 1 UNL111111111 -0.1477 3 C -1.9670 0.0225 0.3954 C.2 1 UNL111111111 -0.1709 4 C -0.6586 -0.6830 0.2414 C.3 1 UNL111111111 -0.2797 5 C 0.4932 0.3301 0.1513 C.3 1 UNL111111111 -0.2665 6 C 1.8405 -0.3899 0.0194 C.3 1 UNL111111111 -0.2718 7 C 2.9911 0.6225 -0.0607 C.3 1 UNL111111111 -0.2504 8 C 4.3366 -0.0911 -0.1939 C.3 1 UNL111111111 -0.4402 9 H -4.6660 0.8962 -1.1205 H 1 UNL111111111 0.1527 10 H -4.3298 1.2041 0.5875 H 1 UNL111111111 0.1490 11 H -5.1410 -0.2908 0.1042 H 1 UNL111111111 0.1527 12 H -3.0231 -1.0407 -1.1116 H 1 UNL111111111 0.1407 13 H -1.9860 0.7931 1.1631 H 1 UNL111111111 0.1438 14 H -0.6519 -1.3377 -0.6525 H 1 UNL111111111 0.1428 15 H -0.5016 -1.3619 1.1060 H 1 UNL111111111 0.1473 16 H 0.4960 0.9830 1.0437 H 1 UNL111111111 0.1369 17 H 0.3326 1.0005 -0.7142 H 1 UNL111111111 0.1402 18 H 1.8412 -1.0332 -0.8801 H 1 UNL111111111 0.1367 19 H 1.9945 -1.0695 0.8779 H 1 UNL111111111 0.1364 20 H 2.9920 1.2663 0.8390 H 1 UNL111111111 0.1336 21 H 2.8374 1.3024 -0.9199 H 1 UNL111111111 0.1342 22 H 4.3745 -0.7090 -1.0979 H 1 UNL111111111 0.1423 23 H 4.5284 -0.7473 0.6622 H 1 UNL111111111 0.1420 24 H 5.1627 0.6261 -0.2506 H 1 UNL111111111 0.1399 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 3 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1