@MOLECULE 4-ethyl-1-hexene 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3942 0.0735 -0.0566 C.3 1 UNL111111111 -0.0884 2 C 1.5755 0.9945 -0.4308 C.3 1 UNL111111111 -0.2728 3 C 0.7953 -1.4008 -0.2535 C.3 1 UNL111111111 -0.2654 4 C -0.8394 0.4421 -0.9166 C.3 1 UNL111111111 -0.3087 5 C 2.6707 0.9770 0.6361 C.3 1 UNL111111111 -0.4373 6 C -0.1964 -2.3659 0.3944 C.3 1 UNL111111111 -0.4385 7 C -2.1074 0.2408 -0.1468 C.2 1 UNL111111111 -0.0976 8 C -2.6023 1.1563 0.6863 C.2 1 UNL111111111 -0.3489 9 H 0.1422 0.2399 1.0177 H 1 UNL111111111 0.1432 10 H 1.9908 0.6971 -1.4108 H 1 UNL111111111 0.1361 11 H 1.2141 2.0333 -0.5590 H 1 UNL111111111 0.1357 12 H 0.8965 -1.6260 -1.3312 H 1 UNL111111111 0.1339 13 H 1.8007 -1.5685 0.1809 H 1 UNL111111111 0.1369 14 H -0.7670 1.4964 -1.2533 H 1 UNL111111111 0.1472 15 H -0.8441 -0.1556 -1.8480 H 1 UNL111111111 0.1449 16 H 3.1040 -0.0220 0.7578 H 1 UNL111111111 0.1426 17 H 3.4875 1.6589 0.3745 H 1 UNL111111111 0.1411 18 H 2.2819 1.2868 1.6128 H 1 UNL111111111 0.1435 19 H -1.1777 -2.3194 -0.0901 H 1 UNL111111111 0.1434 20 H 0.1563 -3.4007 0.3249 H 1 UNL111111111 0.1393 21 H -0.3434 -2.1359 1.4558 H 1 UNL111111111 0.1438 22 H -2.6035 -0.7148 -0.3101 H 1 UNL111111111 0.1367 23 H -3.5116 1.0199 1.2486 H 1 UNL111111111 0.1438 24 H -2.1357 2.1100 0.8736 H 1 UNL111111111 0.1454 @BOND 1 15 4 1 2 10 2 1 3 12 3 1 4 14 4 1 5 4 7 1 6 4 1 1 7 11 2 1 8 2 1 1 9 2 5 1 10 22 7 1 11 3 1 1 12 3 13 1 13 3 6 1 14 7 8 2 15 19 6 1 16 1 9 1 17 20 6 1 18 17 5 1 19 6 21 1 20 5 16 1 21 5 18 1 22 8 24 1 23 8 23 1