@MOLECULE ethyl (2e)-7,11-dichloro-7,11-dimethyl-2-dodecenoate 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.6390 -2.9084 0.6356 Cl 1 UNL1111111111 -0.2620 2 CL -1.5637 3.1962 0.1860 Cl 1 UNL1111111111 -0.2554 3 O 4.4291 1.1550 0.3134 O.3 1 UNL1111111111 -0.4224 4 O 4.4570 -0.4403 -1.2664 O.2 1 UNL1111111111 -0.5309 5 C -1.5258 -2.2469 -0.6453 C.3 1 UNL1111111111 0.2027 6 C -2.2201 -1.0070 -1.2140 C.3 1 UNL1111111111 -0.3212 7 C -2.3368 0.1507 -0.2152 C.3 1 UNL1111111111 -0.2631 8 C -0.2074 -1.9254 0.0471 C.3 1 UNL1111111111 -0.3150 9 C -3.1706 1.2867 -0.8209 C.3 1 UNL1111111111 -0.3153 10 C -3.2522 2.5235 0.0719 C.3 1 UNL1111111111 0.2238 11 C 0.5481 -3.1586 0.5574 C.3 1 UNL1111111111 -0.2534 12 C -1.4190 -3.3321 -1.7026 C.3 1 UNL1111111111 -0.4888 13 C 1.8026 -2.7336 1.3379 C.3 1 UNL1111111111 -0.2998 14 C -3.6878 2.2381 1.4954 C.3 1 UNL1111111111 -0.4842 15 C -4.0843 3.6193 -0.5736 C.3 1 UNL1111111111 -0.4915 16 C 2.7312 -1.9729 0.4532 C.2 1 UNL1111111111 -0.0099 17 C 3.1717 -0.7422 0.7422 C.2 1 UNL1111111111 -0.3208 18 C 4.0673 -0.0498 -0.1910 C.2 1 UNL1111111111 0.6087 19 C 5.2887 1.9559 -0.5132 C.3 1 UNL1111111111 0.0060 20 C 5.4133 3.2659 0.2479 C.3 1 UNL1111111111 -0.4623 21 H -3.2306 -1.2810 -1.5835 H 1 UNL1111111111 0.1588 22 H -1.6620 -0.6643 -2.1110 H 1 UNL1111111111 0.1578 23 H -2.8018 -0.1978 0.7277 H 1 UNL1111111111 0.1546 24 H -1.3282 0.5203 0.0576 H 1 UNL1111111111 0.1576 25 H -0.3821 -1.2318 0.8985 H 1 UNL1111111111 0.1662 26 H 0.4387 -1.3577 -0.6580 H 1 UNL1111111111 0.1651 27 H -2.7557 1.5649 -1.8126 H 1 UNL1111111111 0.1587 28 H -4.1994 0.9228 -1.0230 H 1 UNL1111111111 0.1533 29 H 0.8298 -3.8180 -0.2845 H 1 UNL1111111111 0.1410 30 H -0.1036 -3.7679 1.2147 H 1 UNL1111111111 0.1538 31 H -1.1148 -4.3007 -1.2817 H 1 UNL1111111111 0.1670 32 H -0.6780 -3.0670 -2.4694 H 1 UNL1111111111 0.1644 33 H -2.3745 -3.5052 -2.2169 H 1 UNL1111111111 0.1632 34 H 1.5089 -2.1492 2.2343 H 1 UNL1111111111 0.1581 35 H 2.3198 -3.6341 1.7355 H 1 UNL1111111111 0.1586 36 H -4.6717 1.7506 1.5178 H 1 UNL1111111111 0.1620 37 H -3.7641 3.1557 2.0953 H 1 UNL1111111111 0.1639 38 H -2.9883 1.5743 2.0244 H 1 UNL1111111111 0.1698 39 H -5.1366 3.3199 -0.6611 H 1 UNL1111111111 0.1596 40 H -4.0634 4.5511 0.0094 H 1 UNL1111111111 0.1675 41 H -3.7306 3.8708 -1.5829 H 1 UNL1111111111 0.1645 42 H 3.0295 -2.4846 -0.4693 H 1 UNL1111111111 0.1628 43 H 2.9025 -0.1959 1.6450 H 1 UNL1111111111 0.1856 44 H 4.8174 2.0749 -1.5047 H 1 UNL1111111111 0.1358 45 H 6.2503 1.4260 -0.6260 H 1 UNL1111111111 0.1312 46 H 4.4311 3.7373 0.3906 H 1 UNL1111111111 0.1626 47 H 5.8385 3.1076 1.2476 H 1 UNL1111111111 0.1585 48 H 6.0556 3.9741 -0.2868 H 1 UNL1111111111 0.1526 @BOND 1 1 5 1 2 2 10 1 3 3 18 1 4 3 19 1 5 4 18 2 6 5 6 1 7 5 8 1 8 5 12 1 9 6 7 1 10 6 21 1 11 6 22 1 12 7 9 1 13 7 23 1 14 7 24 1 15 8 11 1 16 8 25 1 17 8 26 1 18 9 10 1 19 9 27 1 20 9 28 1 21 10 14 1 22 10 15 1 23 11 13 1 24 11 29 1 25 11 30 1 26 12 31 1 27 12 32 1 28 12 33 1 29 13 16 1 30 13 34 1 31 13 35 1 32 14 36 1 33 14 37 1 34 14 38 1 35 15 39 1 36 15 40 1 37 15 41 1 38 16 17 2 39 16 42 1 40 17 18 1 41 17 43 1 42 19 20 1 43 19 44 1 44 19 45 1 45 20 46 1 46 20 47 1 47 20 48 1