@MOLECULE 1-[(E)-3,3-dimethylhex-1-enyl]-1-methyl-cyclopropane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.3640 1.5328 0.3493 C.3 1 UNL111 -0.4418 2 C 3.5187 0.3432 -0.1091 C.3 1 UNL111 -0.2460 3 C 2.0446 0.5575 0.2541 C.3 1 UNL111 -0.2899 4 C 1.1268 -0.6353 -0.1172 C.3 1 UNL111 0.0955 5 C 1.1682 -0.8910 -1.6298 C.3 1 UNL111 -0.4590 6 C 1.5575 -1.9154 0.6237 C.3 1 UNL111 -0.4564 7 C -0.2559 -0.2825 0.3756 C.2 1 UNL111 -0.1787 8 C -1.3548 -0.2033 -0.3792 C.2 1 UNL111 -0.1737 9 C -2.6890 0.1537 0.1515 C.3 1 UNL111 0.0348 10 C -2.9552 -0.2564 1.5785 C.3 1 UNL111 -0.4376 11 C -3.3007 1.4575 -0.3490 C.3 1 UNL111 -0.3295 12 C -3.8623 0.1418 -0.8214 C.3 1 UNL111 -0.3375 13 H 5.4175 1.3963 0.0828 H 1 UNL111 0.1392 14 H 4.0251 2.4662 -0.1135 H 1 UNL111 0.1428 15 H 4.3132 1.6654 1.4355 H 1 UNL111 0.1419 16 H 3.6276 0.2046 -1.2009 H 1 UNL111 0.1341 17 H 3.8968 -0.5862 0.3561 H 1 UNL111 0.1343 18 H 1.9613 0.7582 1.3392 H 1 UNL111 0.1380 19 H 1.6675 1.4681 -0.2498 H 1 UNL111 0.1420 20 H 2.1696 -1.1901 -1.9573 H 1 UNL111 0.1460 21 H 0.4823 -1.6964 -1.9153 H 1 UNL111 0.1469 22 H 0.8924 0.0067 -2.1935 H 1 UNL111 0.1463 23 H 1.6583 -1.7411 1.6994 H 1 UNL111 0.1439 24 H 0.8209 -2.7143 0.4827 H 1 UNL111 0.1482 25 H 2.5193 -2.2862 0.2561 H 1 UNL111 0.1450 26 H -0.2938 -0.0926 1.4491 H 1 UNL111 0.1458 27 H -1.3315 -0.3871 -1.4535 H 1 UNL111 0.1511 28 H -2.3306 0.3138 2.2783 H 1 UNL111 0.1507 29 H -3.9992 -0.0920 1.8700 H 1 UNL111 0.1475 30 H -2.7379 -1.3226 1.7280 H 1 UNL111 0.1539 31 H -3.8715 2.0756 0.3356 H 1 UNL111 0.1550 32 H -2.7376 2.0815 -1.0360 H 1 UNL111 0.1574 33 H -3.7089 -0.1732 -1.8482 H 1 UNL111 0.1549 34 H -4.8376 -0.1849 -0.4761 H 1 UNL111 0.1552 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 9 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 5 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 8 27 1 28 10 28 1 29 10 29 1 30 10 30 1 31 11 31 1 32 11 32 1 33 12 33 1 34 12 34 1