@MOLECULE (2s,3s)-3-chloro-2-(3,4-dimethyl-3-penten-1-yl)-2-(methoxymethyl)-1,2,3,4-tetrahydro-6-quinolinecarboxylic acid 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.1580 -2.9949 1.1601 Cl 1 UNL1111111111 -0.1780 2 O -1.0975 -0.8389 -2.6774 O.3 1 UNL1111111111 -0.3940 3 O 5.9931 1.9474 0.0848 O.3 1 UNL1111111111 -0.5679 4 O 6.1035 -0.0100 1.1323 O.2 1 UNL1111111111 -0.5256 5 N -0.0995 0.4826 -0.5281 N.pl3 1 UNL1111111111 -0.5217 6 C -0.8476 -0.7775 -0.3541 C.3 1 UNL1111111111 0.1834 7 C -0.2909 -1.4590 0.9120 C.3 1 UNL1111111111 -0.0474 8 C -2.3489 -0.4408 -0.2270 C.3 1 UNL1111111111 -0.2954 9 C 1.1977 -1.7557 0.8129 C.3 1 UNL1111111111 -0.2887 10 C -0.6549 -1.6714 -1.6142 C.3 1 UNL1111111111 -0.1038 11 C 1.9358 -0.5301 0.3767 C.ar 1 UNL1111111111 -0.1673 12 C 1.2722 0.5010 -0.3331 C.ar 1 UNL1111111111 0.2835 13 C -2.6890 0.3738 1.0282 C.3 1 UNL1111111111 -0.2730 14 C -4.0898 0.8996 0.9173 C.2 1 UNL1111111111 -0.0418 15 C 3.2887 -0.4050 0.6506 C.ar 1 UNL1111111111 -0.0178 16 C 2.0020 1.6282 -0.7740 C.ar 1 UNL1111111111 -0.3203 17 C 4.0018 0.7205 0.2223 C.ar 1 UNL1111111111 -0.2450 18 C 3.3527 1.7341 -0.4914 C.ar 1 UNL1111111111 0.0145 19 C -4.3734 2.1155 0.4202 C.2 1 UNL1111111111 0.0056 20 C -5.1515 -0.0336 1.4021 C.3 1 UNL1111111111 -0.4419 21 C -0.7799 -1.3623 -3.9528 C.3 1 UNL1111111111 -0.1920 22 C -3.3245 3.0500 -0.0894 C.3 1 UNL1111111111 -0.4440 23 C -5.7738 2.6321 0.3392 C.3 1 UNL1111111111 -0.4492 24 C 5.4241 0.7944 0.5423 C.2 1 UNL1111111111 0.6614 25 H -0.5115 -0.8403 1.8131 H 1 UNL1111111111 0.1778 26 H -2.9482 -1.3725 -0.2423 H 1 UNL1111111111 0.1635 27 H -2.6782 0.1132 -1.1333 H 1 UNL1111111111 0.1685 28 H 1.4048 -2.5895 0.1057 H 1 UNL1111111111 0.1662 29 H 1.5804 -2.1191 1.7937 H 1 UNL1111111111 0.1725 30 H -0.4846 1.0916 -1.2450 H 1 UNL1111111111 0.3163 31 H -1.2794 -2.5800 -1.5834 H 1 UNL1111111111 0.1430 32 H 0.4020 -1.9502 -1.7576 H 1 UNL1111111111 0.1334 33 H -1.9596 1.1991 1.1638 H 1 UNL1111111111 0.1578 34 H -2.5890 -0.2521 1.9381 H 1 UNL1111111111 0.1463 35 H 3.8148 -1.1905 1.2034 H 1 UNL1111111111 0.1722 36 H 1.4984 2.4141 -1.3289 H 1 UNL1111111111 0.1657 37 H 3.9178 2.6089 -0.8270 H 1 UNL1111111111 0.1697 38 H -4.7852 -1.0631 1.5130 H 1 UNL1111111111 0.1523 39 H -6.0064 -0.0747 0.7133 H 1 UNL1111111111 0.1495 40 H -5.5343 0.2816 2.3833 H 1 UNL1111111111 0.1507 41 H 0.3041 -1.4209 -4.0932 H 1 UNL1111111111 0.1244 42 H -1.2142 -0.6210 -4.6366 H 1 UNL1111111111 0.1478 43 H -1.2488 -2.3393 -4.1050 H 1 UNL1111111111 0.1258 44 H -2.4907 2.5211 -0.5701 H 1 UNL1111111111 0.1504 45 H -3.7219 3.7525 -0.8334 H 1 UNL1111111111 0.1486 46 H -2.9033 3.6470 0.7331 H 1 UNL1111111111 0.1565 47 H -6.2929 2.2161 -0.5365 H 1 UNL1111111111 0.1541 48 H -6.3640 2.3660 1.2268 H 1 UNL1111111111 0.1514 49 H -5.8126 3.7254 0.2521 H 1 UNL1111111111 0.1484 50 H 6.9558 2.0105 0.2952 H 1 UNL1111111111 0.3536 @BOND 1 1 7 1 2 2 10 1 3 2 21 1 4 3 24 1 5 3 50 1 6 4 24 2 7 5 6 1 8 5 12 1 9 5 30 1 10 6 7 1 11 6 8 1 12 6 10 1 13 7 9 1 14 7 25 1 15 8 13 1 16 8 26 1 17 8 27 1 18 9 11 1 19 9 28 1 20 9 29 1 21 10 31 1 22 10 32 1 23 11 12 ar 24 11 15 ar 25 12 16 ar 26 13 14 1 27 13 33 1 28 13 34 1 29 14 19 2 30 14 20 1 31 15 17 ar 32 15 35 1 33 16 18 ar 34 16 36 1 35 17 18 ar 36 17 24 1 37 18 37 1 38 19 22 1 39 19 23 1 40 20 38 1 41 20 39 1 42 20 40 1 43 21 41 1 44 21 42 1 45 21 43 1 46 22 44 1 47 22 45 1 48 22 46 1 49 23 47 1 50 23 48 1 51 23 49 1