@MOLECULE (~3~h_1_)methyl (2e)-7,11-dichloro-3,7,11-trimethyl-2-dodecenoate 48 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 0.4697 -1.0780 1.0206 Cl 1 UNL1 -0.2423 2 CL 7.1732 0.6697 0.0958 Cl 1 UNL1 -0.2662 3 O -6.1812 -1.7116 -0.1546 O.3 1 UNL1 -0.4084 4 O -7.0969 0.3334 -0.0307 O.2 1 UNL1 -0.5363 5 C 0.6389 0.1881 -0.2682 C.3 1 UNL1 0.1951 6 C 2.0221 0.8182 -0.0841 C.3 1 UNL1 -0.3206 7 C -0.4503 1.2316 -0.0009 C.3 1 UNL1 -0.3218 8 C 3.1807 -0.1823 -0.1771 C.3 1 UNL1 -0.2573 9 C 4.5191 0.5563 -0.0441 C.3 1 UNL1 -0.3227 10 C -1.8740 0.6627 -0.0298 C.3 1 UNL1 -0.2560 11 C 5.7049 -0.4060 -0.0842 C.3 1 UNL1 0.2315 12 C 0.4754 -0.5267 -1.5947 C.3 1 UNL1 -0.4830 13 C -2.9005 1.7853 0.1643 C.3 1 UNL1 -0.3101 14 C 5.7550 -1.3615 1.0910 C.3 1 UNL1 -0.4854 15 C 5.8762 -1.1028 -1.4195 C.3 1 UNL1 -0.4863 16 C -4.3305 1.3428 0.0961 C.2 1 UNL1 0.1935 17 C -5.3225 2.4512 0.1461 C.3 1 UNL1 -0.4874 18 C -4.7024 0.0531 0.0062 C.2 1 UNL1 -0.3955 19 C -6.1027 -0.3535 -0.0553 C.2 1 UNL1 0.6244 20 C -7.4936 -2.2576 -0.2040 C.3 1 UNL1 -0.1704 21 H -3.9863 -0.7692 -0.0206 H 1 UNL1 0.1911 22 H -7.3088 -3.3327 -0.3089 H 1 UNL1 0.1441 23 H 2.0722 1.3393 0.8958 H 1 UNL1 0.1592 24 H 2.1564 1.6110 -0.8491 H 1 UNL1 0.1534 25 H -0.3570 2.0415 -0.7533 H 1 UNL1 0.1505 26 H -0.2736 1.7176 0.9818 H 1 UNL1 0.1569 27 H 3.1412 -0.7315 -1.1362 H 1 UNL1 0.1417 28 H 3.0929 -0.9484 0.6192 H 1 UNL1 0.1586 29 H 4.5308 1.1355 0.9032 H 1 UNL1 0.1617 30 H 4.6113 1.3115 -0.8518 H 1 UNL1 0.1577 31 H -1.9991 -0.0998 0.7669 H 1 UNL1 0.1637 32 H -2.0619 0.1408 -0.9881 H 1 UNL1 0.1479 33 H 1.2355 -1.3060 -1.7463 H 1 UNL1 0.1653 34 H 0.5572 0.1746 -2.4357 H 1 UNL1 0.1603 35 H -0.5001 -1.0274 -1.6829 H 1 UNL1 0.1699 36 H -2.7299 2.5794 -0.5959 H 1 UNL1 0.1592 37 H -2.7280 2.2773 1.1486 H 1 UNL1 0.1653 38 H 5.6599 -0.8399 2.0540 H 1 UNL1 0.1674 39 H 6.6975 -1.9265 1.1251 H 1 UNL1 0.1677 40 H 4.9416 -2.0989 1.0419 H 1 UNL1 0.1639 41 H 5.8690 -0.3955 -2.2602 H 1 UNL1 0.1641 42 H 5.0714 -1.8286 -1.5964 H 1 UNL1 0.1605 43 H 6.8245 -1.6567 -1.4772 H 1 UNL1 0.1683 44 H -4.8781 3.4476 0.2351 H 1 UNL1 0.1525 45 H -6.0263 2.3224 0.9896 H 1 UNL1 0.1894 46 H -5.9700 2.4507 -0.7500 H 1 UNL1 0.1873 47 H -8.0411 -1.8598 -1.0649 H 1 UNL1 0.1388 48 H -8.0302 -2.0323 0.7238 H 1 UNL1 0.1386 @BOND 1 34 12 1 2 41 15 1 3 33 12 1 4 35 12 1 5 42 15 1 6 12 5 1 7 43 15 1 8 15 11 1 9 27 8 1 10 47 20 1 11 32 10 1 12 30 9 1 13 24 6 1 14 25 7 1 15 46 17 1 16 36 13 1 17 22 20 1 18 5 6 1 19 5 7 1 20 5 1 1 21 20 3 1 22 20 48 1 23 8 6 1 24 8 9 1 25 8 28 1 26 3 19 1 27 11 9 1 28 11 2 1 29 11 14 1 30 6 23 1 31 19 4 2 32 19 18 1 33 9 29 1 34 10 7 1 35 10 13 1 36 10 31 1 37 21 18 1 38 7 26 1 39 18 16 2 40 16 17 1 41 16 13 1 42 17 44 1 43 17 45 1 44 13 37 1 45 40 14 1 46 14 39 1 47 14 38 1