@MOLECULE 2,2-dimethylhex-3-ene 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3723 0.0385 0.0292 C.3 1 UNL1111111 0.1182 2 C 1.7920 -0.8302 -1.1696 C.3 1 UNL1111111 -0.4573 3 C 1.3950 1.5249 -0.3691 C.3 1 UNL1111111 -0.4576 4 C 2.3699 -0.1850 1.1809 C.3 1 UNL1111111 -0.4637 5 C -0.0167 -0.3439 0.4740 C.2 1 UNL1111111 -0.1969 6 C -1.0913 -0.2648 -0.3152 C.2 1 UNL1111111 -0.1574 7 C -2.4657 -0.6375 0.1418 C.3 1 UNL1111111 -0.2601 8 C -3.3927 0.5790 0.0646 C.3 1 UNL1111111 -0.4291 9 H -0.0918 -0.6930 1.5013 H 1 UNL1111111 0.1449 10 H -1.0326 0.0865 -1.3434 H 1 UNL1111111 0.1426 11 H 1.1266 -0.6784 -2.0256 H 1 UNL1111111 0.1445 12 H 2.8099 -0.5943 -1.4949 H 1 UNL1111111 0.1441 13 H 1.7605 -1.8947 -0.9138 H 1 UNL1111111 0.1464 14 H 1.0797 2.1601 0.4656 H 1 UNL1111111 0.1462 15 H 2.3985 1.8411 -0.6703 H 1 UNL1111111 0.1443 16 H 0.7181 1.7244 -1.2061 H 1 UNL1111111 0.1446 17 H 2.1124 0.4235 2.0540 H 1 UNL1111111 0.1446 18 H 2.3859 -1.2333 1.4962 H 1 UNL1111111 0.1445 19 H 3.3879 0.0839 0.8809 H 1 UNL1111111 0.1452 20 H -2.8612 -1.4586 -0.4915 H 1 UNL1111111 0.1431 21 H -2.4571 -1.0390 1.1744 H 1 UNL1111111 0.1401 22 H -3.4658 0.9634 -0.9587 H 1 UNL1111111 0.1426 23 H -4.4050 0.3303 0.3998 H 1 UNL1111111 0.1400 24 H -3.0241 1.3958 0.6964 H 1 UNL1111111 0.1464 @BOND 1 11 2 1 2 12 2 1 3 10 6 1 4 16 3 1 5 2 13 1 6 2 1 1 7 22 8 1 8 15 3 1 9 20 7 1 10 3 1 1 11 3 14 1 12 6 7 1 13 6 5 2 14 1 5 1 15 1 4 1 16 8 7 1 17 8 23 1 18 8 24 1 19 7 21 1 20 5 9 1 21 19 4 1 22 4 18 1 23 4 17 1