@MOLECULE oct-4-ene 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9797 -0.5334 0.0181 C.3 1 UNL11111111 -0.2427 2 C -1.8595 0.4904 -0.2268 C.3 1 UNL11111111 -0.2788 3 C -0.5358 -0.1949 -0.3329 C.2 1 UNL11111111 -0.1687 4 C 0.5396 0.1933 0.3579 C.2 1 UNL11111111 -0.1695 5 C 1.8640 -0.4904 0.2518 C.3 1 UNL11111111 -0.2786 6 C 2.9737 0.5306 -0.0473 C.3 1 UNL11111111 -0.2425 7 C 4.3379 -0.1536 -0.1251 C.3 1 UNL11111111 -0.4408 8 H -2.9889 -1.2874 -0.7912 H 1 UNL11111111 0.1341 9 H -2.7752 -1.0930 0.9510 H 1 UNL11111111 0.1377 10 H -1.8636 1.2498 0.5797 H 1 UNL11111111 0.1431 11 H -2.0600 1.0535 -1.1627 H 1 UNL11111111 0.1473 12 H -0.5079 -1.0355 -1.0237 H 1 UNL11111111 0.1434 13 H 0.5111 1.0334 1.0488 H 1 UNL11111111 0.1432 14 H 1.8575 -1.2751 -0.5301 H 1 UNL11111111 0.1429 15 H 2.0835 -1.0224 1.2012 H 1 UNL11111111 0.1471 16 H 2.9870 1.3168 0.7307 H 1 UNL11111111 0.1342 17 H 2.7540 1.0509 -0.9992 H 1 UNL11111111 0.1377 18 H 4.5924 -0.6499 0.8180 H 1 UNL11111111 0.1423 19 H 5.1323 0.5694 -0.3412 H 1 UNL11111111 0.1408 20 H 4.3612 -0.9131 -0.9146 H 1 UNL11111111 0.1427 21 C -4.3398 0.1573 0.1075 C.3 1 UNL11111111 -0.4407 22 H -5.1424 -0.5682 0.2807 H 1 UNL11111111 0.1408 23 H -4.5775 0.6968 -0.8161 H 1 UNL11111111 0.1423 24 H -4.3686 0.8814 0.9294 H 1 UNL11111111 0.1427 @BOND 1 11 2 1 2 12 3 1 3 17 6 1 4 20 7 1 5 23 21 1 6 8 1 1 7 14 5 1 8 19 7 1 9 3 2 1 10 3 4 2 11 2 1 1 12 2 10 1 13 7 6 1 14 7 18 1 15 6 5 1 16 6 16 1 17 1 21 1 18 1 9 1 19 21 22 1 20 21 24 1 21 5 4 1 22 5 15 1 23 4 13 1