@MOLECULE methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.0778 -0.0305 -2.7601 Cl 1 UNL11111111111 -0.0367 2 O -1.1303 0.3589 -2.7590 O.2 1 UNL11111111111 -0.4598 3 O 2.8969 1.4117 -0.2166 O.3 1 UNL11111111111 -0.3926 4 O 2.8668 2.5988 1.6895 O.2 1 UNL11111111111 -0.5455 5 O 0.6841 -4.5419 1.7988 O.2 1 UNL11111111111 -0.4023 6 O -0.4020 -2.8777 2.6202 O.2 1 UNL11111111111 -0.4155 7 N -1.3742 1.9431 1.6985 N.pl3 1 UNL11111111111 -0.4810 8 N 0.3159 -3.3786 1.7674 N.pl3 1 UNL11111111111 0.6322 9 C -3.9131 0.2046 -0.4160 C.3 1 UNL11111111111 0.1453 10 C -3.4448 1.3490 0.5206 C.3 1 UNL11111111111 -0.3476 11 C -3.2923 0.4094 -1.8074 C.3 1 UNL11111111111 -0.4143 12 C -1.9507 1.4365 0.5315 C.2 1 UNL11111111111 0.2733 13 C -1.1878 1.0575 -0.5214 C.2 1 UNL11111111111 -0.3131 14 C 0.3109 1.0501 -0.4594 C.3 1 UNL11111111111 -0.0176 15 C -1.7918 0.5872 -1.7732 C.2 1 UNL11111111111 0.4998 16 C -5.4429 0.2549 -0.5291 C.3 1 UNL11111111111 -0.4723 17 C -3.4896 -1.1511 0.1611 C.3 1 UNL11111111111 -0.4703 18 C 0.8246 1.7510 0.7663 C.2 1 UNL11111111111 -0.3390 19 C 0.0043 2.1412 1.7808 C.2 1 UNL11111111111 0.3346 20 C 0.7655 -0.3931 -0.4358 C.ar 1 UNL11111111111 -0.0218 21 C 0.4826 2.7893 3.0311 C.3 1 UNL11111111111 -0.4833 22 C 2.2603 1.9894 0.8378 C.2 1 UNL11111111111 0.6294 23 C 0.3722 -1.2040 0.6306 C.ar 1 UNL11111111111 -0.0933 24 C 1.5455 -0.9632 -1.4408 C.ar 1 UNL11111111111 0.0766 25 C 0.7480 -2.5476 0.6570 C.ar 1 UNL11111111111 -0.0935 26 C 1.9290 -2.3037 -1.4187 C.ar 1 UNL11111111111 -0.1936 27 C 1.5257 -3.1094 -0.3613 C.ar 1 UNL11111111111 -0.0764 28 C 4.3063 1.5975 -0.2725 C.3 1 UNL11111111111 -0.1714 29 H -3.8600 1.1833 1.5343 H 1 UNL11111111111 0.1602 30 H -3.8725 2.3144 0.1743 H 1 UNL11111111111 0.1691 31 H -3.7343 1.2946 -2.3093 H 1 UNL11111111111 0.1724 32 H -3.5424 -0.4463 -2.4693 H 1 UNL11111111111 0.1811 33 H 0.7054 1.5825 -1.3734 H 1 UNL11111111111 0.1923 34 H -5.7963 1.2128 -0.9235 H 1 UNL11111111111 0.1454 35 H -5.8161 -0.5294 -1.1991 H 1 UNL11111111111 0.1557 36 H -5.9222 0.0997 0.4436 H 1 UNL11111111111 0.1494 37 H -3.8976 -1.3139 1.1644 H 1 UNL11111111111 0.1520 38 H -3.8339 -1.9798 -0.4686 H 1 UNL11111111111 0.1558 39 H -2.3978 -1.2394 0.2358 H 1 UNL11111111111 0.1596 40 H -1.9630 2.2023 2.4764 H 1 UNL11111111111 0.3186 41 H 1.0268 3.7286 2.8045 H 1 UNL11111111111 0.2025 42 H 1.2357 2.1565 3.5423 H 1 UNL11111111111 0.2023 43 H -0.3002 3.0266 3.7591 H 1 UNL11111111111 0.1554 44 H -0.2290 -0.7828 1.4440 H 1 UNL11111111111 0.1883 45 H 2.5365 -2.7219 -2.2228 H 1 UNL11111111111 0.1780 46 H 1.8101 -4.1652 -0.3216 H 1 UNL11111111111 0.1848 47 H 4.5368 2.6559 -0.4306 H 1 UNL11111111111 0.1387 48 H 4.5968 0.9900 -1.1379 H 1 UNL11111111111 0.1477 49 H 4.7795 1.2371 0.6468 H 1 UNL11111111111 0.1403 @BOND 1 1 24 1 2 2 15 2 3 3 22 1 4 3 28 1 5 4 22 2 6 5 8 2 7 6 8 2 8 7 12 1 9 7 19 1 10 7 40 1 11 8 25 1 12 9 10 1 13 9 11 1 14 9 16 1 15 9 17 1 16 10 12 1 17 10 29 1 18 10 30 1 19 11 15 1 20 11 31 1 21 11 32 1 22 12 13 2 23 13 14 1 24 13 15 1 25 14 18 1 26 14 20 1 27 14 33 1 28 16 34 1 29 16 35 1 30 16 36 1 31 17 37 1 32 17 38 1 33 17 39 1 34 18 19 2 35 18 22 1 36 19 21 1 37 20 23 ar 38 20 24 ar 39 21 41 1 40 21 42 1 41 21 43 1 42 23 25 ar 43 23 44 1 44 24 26 ar 45 25 27 ar 46 26 27 ar 47 26 45 1 48 27 46 1 49 28 47 1 50 28 48 1 51 28 49 1