@MOLECULE 6-methylheptyl (4-chloro-2-methylphenoxy)acetate 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 CL -7.4394 -1.5378 -0.5581 Cl 1 UNL1111111111 -0.0889 2 O 1.1277 0.3294 0.4196 O.3 1 UNL1111111111 -0.4523 3 O -2.3216 0.9152 0.6475 O.3 1 UNL1111111111 -0.2796 4 O -0.0580 2.2132 0.0899 O.2 1 UNL1111111111 -0.4584 5 C 7.2394 0.0561 -0.4606 C.3 1 UNL1111111111 -0.2890 6 C 5.8652 -0.5385 -0.1289 C.3 1 UNL1111111111 -0.2689 7 C 8.3466 -1.0148 -0.4224 C.3 1 UNL1111111111 -0.0614 8 C 4.7768 0.5401 -0.2034 C.3 1 UNL1111111111 -0.2697 9 C 3.4083 -0.0588 0.1347 C.3 1 UNL1111111111 -0.2996 10 C 9.6108 -0.4746 -1.1043 C.3 1 UNL1111111111 -0.4569 11 C 8.6692 -1.4224 1.0201 C.3 1 UNL1111111111 -0.4537 12 C 2.3322 1.0216 0.0551 C.3 1 UNL1111111111 -0.0030 13 C -0.0183 1.0551 0.3948 C.2 1 UNL1111111111 0.5826 14 C -1.1453 0.1306 0.8077 C.3 1 UNL1111111111 -0.1375 15 C -3.4718 0.2309 0.3752 C.ar 1 UNL1111111111 0.1811 16 C -4.4672 1.0554 -0.1949 C.ar 1 UNL1111111111 -0.0030 17 C -3.6945 -1.1109 0.6666 C.ar 1 UNL1111111111 -0.2491 18 C -5.7056 0.4912 -0.4779 C.ar 1 UNL1111111111 -0.1608 19 C -4.1736 2.4852 -0.4646 C.3 1 UNL1111111111 -0.4396 20 C -4.9423 -1.6666 0.3733 C.ar 1 UNL1111111111 -0.1328 21 C -5.9126 -0.8565 -0.1919 C.ar 1 UNL1111111111 -0.0173 22 H 7.4824 0.8729 0.2432 H 1 UNL1111111111 0.1396 23 H 7.2092 0.5224 -1.4636 H 1 UNL1111111111 0.1377 24 H 5.6312 -1.3636 -0.8275 H 1 UNL1111111111 0.1372 25 H 5.8807 -0.9912 0.8803 H 1 UNL1111111111 0.1386 26 H 7.9969 -1.9157 -0.9818 H 1 UNL1111111111 0.1291 27 H 4.7599 0.9892 -1.2149 H 1 UNL1111111111 0.1407 28 H 5.0174 1.3656 0.4934 H 1 UNL1111111111 0.1406 29 H 3.1641 -0.8901 -0.5551 H 1 UNL1111111111 0.1533 30 H 3.4185 -0.5100 1.1462 H 1 UNL1111111111 0.1535 31 H 9.4236 -0.2248 -2.1539 H 1 UNL1111111111 0.1417 32 H 10.4193 -1.2133 -1.0816 H 1 UNL1111111111 0.1441 33 H 9.9782 0.4297 -0.6077 H 1 UNL1111111111 0.1451 34 H 7.7909 -1.8366 1.5259 H 1 UNL1111111111 0.1414 35 H 9.4554 -2.1844 1.0497 H 1 UNL1111111111 0.1426 36 H 9.0166 -0.5674 1.6098 H 1 UNL1111111111 0.1448 37 H 2.2086 1.4351 -0.9607 H 1 UNL1111111111 0.1362 38 H 2.4917 1.8440 0.7732 H 1 UNL1111111111 0.1350 39 H -1.0580 -0.1550 1.8747 H 1 UNL1111111111 0.1682 40 H -1.1507 -0.7790 0.1753 H 1 UNL1111111111 0.1691 41 H -2.9285 -1.7286 1.1256 H 1 UNL1111111111 0.1664 42 H -6.4980 1.0970 -0.9196 H 1 UNL1111111111 0.1768 43 H -4.1384 3.0655 0.4728 H 1 UNL1111111111 0.1710 44 H -3.1825 2.6150 -0.9355 H 1 UNL1111111111 0.1793 45 H -4.9130 2.9606 -1.1210 H 1 UNL1111111111 0.1557 46 H -5.1369 -2.7164 0.5915 H 1 UNL1111111111 0.1702 @BOND 1 1 21 1 2 2 12 1 3 2 13 1 4 3 14 1 5 3 15 1 6 4 13 2 7 5 6 1 8 5 7 1 9 5 22 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 10 1 15 7 11 1 16 7 26 1 17 8 9 1 18 8 27 1 19 8 28 1 20 9 12 1 21 9 29 1 22 9 30 1 23 10 31 1 24 10 32 1 25 10 33 1 26 11 34 1 27 11 35 1 28 11 36 1 29 12 37 1 30 12 38 1 31 13 14 1 32 14 39 1 33 14 40 1 34 15 16 ar 35 15 17 ar 36 16 18 ar 37 16 19 1 38 17 20 ar 39 17 41 1 40 18 21 ar 41 18 42 1 42 19 43 1 43 19 44 1 44 19 45 1 45 20 21 ar 46 20 46 1