@MOLECULE 2-hexene, 2-ethyl 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5503 1.1495 -0.4239 C.3 1 UNL1111111111111 -0.4549 2 C -1.3372 0.4661 0.1225 C.2 1 UNL1111111111111 0.0265 3 C -1.5782 -0.9193 0.6463 C.3 1 UNL1111111111111 -0.2675 4 C -1.2238 -1.9592 -0.4208 C.3 1 UNL1111111111111 -0.4281 5 C -0.1444 1.0742 0.1213 C.2 1 UNL1111111111111 -0.2226 6 C 1.1285 0.4816 0.6298 C.3 1 UNL1111111111111 -0.2701 7 C 2.1191 0.2963 -0.5328 C.3 1 UNL1111111111111 -0.2422 8 C 3.4114 -0.3594 -0.0484 C.3 1 UNL1111111111111 -0.4403 9 H -3.2821 1.3499 0.3713 H 1 UNL1111111111111 0.1538 10 H -2.3191 2.1110 -0.8999 H 1 UNL1111111111111 0.1501 11 H -3.0484 0.5260 -1.1798 H 1 UNL1111111111111 0.1547 12 H -0.9840 -1.1006 1.5650 H 1 UNL1111111111111 0.1430 13 H -2.6343 -1.0449 0.9579 H 1 UNL1111111111111 0.1410 14 H -1.8356 -1.8294 -1.3205 H 1 UNL1111111111111 0.1437 15 H -0.1736 -1.8693 -0.7255 H 1 UNL1111111111111 0.1489 16 H -1.3797 -2.9779 -0.0520 H 1 UNL1111111111111 0.1394 17 H -0.0315 2.0812 -0.2789 H 1 UNL1111111111111 0.1446 18 H 1.5703 1.1439 1.4023 H 1 UNL1111111111111 0.1421 19 H 0.9630 -0.4894 1.1357 H 1 UNL1111111111111 0.1428 20 H 1.6520 -0.3194 -1.3248 H 1 UNL1111111111111 0.1360 21 H 2.3384 1.2738 -1.0011 H 1 UNL1111111111111 0.1346 22 H 3.9019 0.2440 0.7234 H 1 UNL1111111111111 0.1425 23 H 3.2221 -1.3506 0.3785 H 1 UNL1111111111111 0.1416 24 H 4.1242 -0.4859 -0.8707 H 1 UNL1111111111111 0.1404 @BOND 1 20 7 1 2 14 4 1 3 11 1 1 4 21 7 1 5 10 1 1 6 24 8 1 7 15 4 1 8 7 8 1 9 7 6 1 10 1 2 1 11 1 9 1 12 4 16 1 13 4 3 1 14 17 5 1 15 8 23 1 16 8 22 1 17 5 2 2 18 5 6 1 19 2 3 1 20 6 19 1 21 6 18 1 22 3 13 1 23 3 12 1