@MOLECULE laurendecumallene a 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.2509 -0.6858 0.4815 C.3 1 UNL1 0.0761 2 C 0.1705 0.7832 0.9863 C.3 1 UNL1 0.0928 3 C -2.0270 0.1912 0.4446 C.3 1 UNL1 0.1291 4 C 2.3049 -1.3457 -0.6575 C.3 1 UNL1 0.1038 5 C 1.9136 2.5850 0.3870 C.3 1 UNL1 0.1428 6 C 3.2019 -0.1827 -0.1990 C.3 1 UNL1 -0.1151 7 C 3.1408 2.3137 -0.5295 C.3 1 UNL1 0.1072 8 C 2.4365 -2.6269 0.1699 C.3 1 UNL1 -0.3093 9 C 1.4455 -3.6831 -0.3157 C.3 1 UNL1 -0.4296 10 H 2.8042 2.8172 2.1538 H 1 UNL1 0.3254 11 H 3.7460 3.2645 -2.1710 H 1 UNL1 0.3212 12 C -1.1973 -1.0532 0.0906 C.3 1 UNL1 -0.3478 13 C 0.6143 1.8657 0.0018 C.3 1 UNL1 -0.3437 14 C 3.1548 0.9472 -1.2179 C.3 1 UNL1 -0.3519 15 O 2.2858 2.1398 1.6819 O.3 1 UNL1 -0.5833 16 O 3.0392 3.3394 -1.5031 O.3 1 UNL1 -0.5691 17 O -1.2079 1.0080 1.2776 O.3 1 UNL1 -0.4246 18 O 0.9844 -0.8340 -0.7159 O.3 1 UNL1 -0.4209 19 BR 5.0787 -0.7521 0.0369 Br 1 UNL1 -0.1557 20 BR -6.7319 0.1042 -0.4507 Br 1 UNL1 -0.0481 21 C -3.2444 -0.1302 1.2569 C.2 1 UNL1 -0.1709 22 C -5.4078 -1.1014 0.1871 C.2 1 UNL1 -0.1936 23 C -4.3274 -0.6250 0.7254 C.1 1 UNL1 -0.0381 24 H 0.6431 -1.3449 1.2794 H 1 UNL1 0.1320 25 H 0.6404 0.8978 1.9901 H 1 UNL1 0.1691 26 H -1.2596 -1.2916 -0.9873 H 1 UNL1 0.1714 27 H -1.5407 -1.9512 0.6262 H 1 UNL1 0.1552 28 H -2.2765 0.7994 -0.4547 H 1 UNL1 0.1417 29 H 0.6798 1.4567 -1.0265 H 1 UNL1 0.1727 30 H -0.2033 2.6216 -0.0554 H 1 UNL1 0.1722 31 H 2.4681 -1.5748 -1.7421 H 1 UNL1 0.1534 32 H 1.7387 3.6885 0.4198 H 1 UNL1 0.1371 33 H 2.8906 0.1580 0.8169 H 1 UNL1 0.1921 34 H 4.0818 2.4762 0.0462 H 1 UNL1 0.1285 35 H -3.1582 0.0879 2.3280 H 1 UNL1 0.1968 36 H 3.9851 0.8948 -1.9481 H 1 UNL1 0.1587 37 H 2.2416 0.8532 -1.8547 H 1 UNL1 0.1843 38 H 3.4645 -3.0348 0.0867 H 1 UNL1 0.1611 39 H 2.2943 -2.4232 1.2478 H 1 UNL1 0.1483 40 H 0.4204 -3.2928 -0.3478 H 1 UNL1 0.1535 41 H 1.6883 -4.0269 -1.3282 H 1 UNL1 0.1450 42 H 1.4478 -4.5616 0.3389 H 1 UNL1 0.1429 43 H -5.6759 -2.1369 0.0419 H 1 UNL1 0.1871 @BOND 1 11 16 1 2 36 14 1 3 37 14 1 4 31 4 1 5 16 7 1 6 41 9 1 7 14 7 1 8 14 6 1 9 29 13 1 10 26 12 1 11 18 4 1 12 18 1 1 13 4 6 1 14 4 8 1 15 7 34 1 16 7 5 1 17 28 3 1 18 20 22 1 19 40 9 1 20 9 8 1 21 9 42 1 22 6 19 1 23 6 33 1 24 30 13 1 25 13 5 1 26 13 2 1 27 43 22 1 28 38 8 1 29 12 3 1 30 12 1 1 31 12 27 1 32 8 39 1 33 22 23 2 34 5 32 1 35 5 15 1 36 3 21 1 37 3 17 1 38 1 2 1 39 1 24 1 40 23 21 2 41 2 17 1 42 2 25 1 43 21 35 1 44 15 10 1