@MOLECULE 1-methyl-4-[(2r)-6-methyl-5-hepten-2-yl]benzene 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.0606 2.2253 0.1387 C.3 1 UNL1111111111 -0.0992 2 C 1.3805 1.7573 -0.1463 C.3 1 UNL1111111111 -0.2694 3 C -1.0005 1.0500 0.0726 C.ar 1 UNL1111111111 -0.0094 4 C 1.9123 0.8640 0.9888 C.3 1 UNL1111111111 -0.2692 5 C -0.4810 3.3076 -0.8638 C.3 1 UNL1111111111 -0.4461 6 C -1.6439 0.6105 1.2315 C.ar 1 UNL1111111111 -0.1692 7 C -1.2152 0.3688 -1.1281 C.ar 1 UNL1111111111 -0.1608 8 C 3.0187 0.0002 0.4771 C.2 1 UNL1111111111 -0.2387 9 C -2.4769 -0.5044 1.1942 C.ar 1 UNL1111111111 -0.1763 10 C -2.0516 -0.7422 -1.1683 C.ar 1 UNL1111111111 -0.1806 11 C -2.6832 -1.1887 -0.0050 C.ar 1 UNL1111111111 0.0310 12 C 2.8416 -1.2398 0.0008 C.2 1 UNL1111111111 0.0606 13 C -3.5815 -2.3783 -0.0483 C.3 1 UNL1111111111 -0.4525 14 C 3.9923 -2.0473 -0.5084 C.3 1 UNL1111111111 -0.4567 15 C 1.5132 -1.9165 -0.0622 C.3 1 UNL1111111111 -0.4645 16 H -0.0879 2.6735 1.1642 H 1 UNL1111111111 0.1411 17 H 2.0445 2.6300 -0.2782 H 1 UNL1111111111 0.1382 18 H 1.4158 1.2071 -1.1058 H 1 UNL1111111111 0.1464 19 H 2.2621 1.4888 1.8330 H 1 UNL1111111111 0.1367 20 H 1.0904 0.2462 1.4070 H 1 UNL1111111111 0.1512 21 H -1.5325 3.5846 -0.7237 H 1 UNL1111111111 0.1486 22 H 0.1209 4.2145 -0.7432 H 1 UNL1111111111 0.1437 23 H -0.3670 2.9701 -1.8994 H 1 UNL1111111111 0.1463 24 H -1.4920 1.1363 2.1721 H 1 UNL1111111111 0.1503 25 H -0.7222 0.7058 -2.0383 H 1 UNL1111111111 0.1523 26 H 4.0020 0.4615 0.5036 H 1 UNL1111111111 0.1434 27 H -2.9687 -0.8412 2.1039 H 1 UNL1111111111 0.1507 28 H -2.2127 -1.2641 -2.1087 H 1 UNL1111111111 0.1513 29 H -4.6142 -2.0779 -0.2827 H 1 UNL1111111111 0.1591 30 H -3.2740 -3.1046 -0.8129 H 1 UNL1111111111 0.1549 31 H -3.6103 -2.9147 0.9097 H 1 UNL1111111111 0.1544 32 H 4.0300 -3.0341 -0.0266 H 1 UNL1111111111 0.1539 33 H 4.9617 -1.5643 -0.3323 H 1 UNL1111111111 0.1485 34 H 3.9048 -2.2132 -1.5916 H 1 UNL1111111111 0.1545 35 H 1.2007 -2.2632 0.9337 H 1 UNL1111111111 0.1582 36 H 1.5096 -2.7876 -0.7275 H 1 UNL1111111111 0.1493 37 H 0.7231 -1.2362 -0.4212 H 1 UNL1111111111 0.1680 @BOND 1 1 2 1 2 1 3 1 3 1 5 1 4 1 16 1 5 2 4 1 6 2 17 1 7 2 18 1 8 3 6 ar 9 3 7 ar 10 4 8 1 11 4 19 1 12 4 20 1 13 5 21 1 14 5 22 1 15 5 23 1 16 6 9 ar 17 6 24 1 18 7 10 ar 19 7 25 1 20 8 12 2 21 8 26 1 22 9 11 ar 23 9 27 1 24 10 11 ar 25 10 28 1 26 11 13 1 27 12 14 1 28 12 15 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1