@MOLECULE (2s,4r)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.4158 -2.1337 0.8922 Cl 1 UNL1111111111 -0.0468 2 CL 4.5148 -3.4400 -0.5890 Cl 1 UNL1111111111 -0.0635 3 O 1.8830 4.7643 0.0011 O.3 1 UNL1111111111 -0.5379 4 OXT 3.9361 3.8825 0.0968 O.2 1 UNL1111111111 -0.4969 5 O -2.2211 0.5402 1.3853 O.2 1 UNL1111111111 -0.5248 6 N 2.9883 1.3749 -0.5755 N.pl3 1 UNL1111111111 -0.5190 7 N -0.6508 0.8316 -0.2558 N.am 1 UNL1111111111 -0.6271 8 N -2.8794 0.3271 -0.8203 N.am 1 UNL1111111111 -0.5928 9 C 0.4388 0.7354 0.7335 C.3 1 UNL1111111111 0.1382 10 C 1.1103 2.1130 0.9045 C.3 1 UNL1111111111 -0.3253 11 CA 2.0053 2.4309 -0.2978 C.3 1 UNL1111111111 0.0189 12 C 1.4346 -0.3025 0.2947 C.ar 1 UNL1111111111 -0.2667 13 C 2.6979 0.0711 -0.2153 C.ar 1 UNL1111111111 0.3014 14 C 1.1500 -1.6599 0.4090 C.ar 1 UNL1111111111 0.1140 15 C 2.7515 3.7316 -0.0422 C.2 1 UNL1111111111 0.5997 16 C 3.6777 -0.9200 -0.4644 C.ar 1 UNL1111111111 -0.3303 17 C 2.0708 -2.6584 0.1322 C.ar 1 UNL1111111111 -0.2982 18 C 3.3351 -2.2441 -0.2814 C.ar 1 UNL1111111111 0.1304 19 C -1.9457 0.5517 0.2041 C.2 1 UNL1111111111 0.7201 20 C -4.2425 0.0546 -0.5493 C.ar 1 UNL1111111111 0.2316 21 C -5.1784 0.3681 -1.5497 C.ar 1 UNL1111111111 -0.2615 22 C -4.6553 -0.5623 0.6390 C.ar 1 UNL1111111111 -0.2071 23 C -6.5208 0.0651 -1.3480 C.ar 1 UNL1111111111 -0.0944 24 C -6.0034 -0.8519 0.8218 C.ar 1 UNL1111111111 -0.0976 25 C -6.9382 -0.5414 -0.1650 C.ar 1 UNL1111111111 -0.2005 26 H 0.0031 0.4492 1.7428 H 1 UNL1111111111 0.1947 27 H 0.3298 2.8981 1.0173 H 1 UNL1111111111 0.1914 28 H 1.6907 2.1198 1.8481 H 1 UNL1111111111 0.1654 29 HA 1.3658 2.5519 -1.2231 H 1 UNL1111111111 0.1887 30 H 3.9636 1.6701 -0.5871 H 1 UNL1111111111 0.3295 31 H -0.3918 0.6443 -1.2129 H 1 UNL1111111111 0.3092 32 H 4.6689 -0.6329 -0.8106 H 1 UNL1111111111 0.1886 33 H 1.8224 -3.7141 0.2366 H 1 UNL1111111111 0.1979 34 H -2.6549 0.6029 -1.7688 H 1 UNL1111111111 0.3121 35 H 2.3152 5.6426 0.1680 H 1 UNL1111111111 0.3629 36 H -4.8643 0.8458 -2.4724 H 1 UNL1111111111 0.1530 37 H -3.9332 -0.8128 1.4187 H 1 UNL1111111111 0.1926 38 H -7.2493 0.3065 -2.1208 H 1 UNL1111111111 0.1470 39 H -6.3284 -1.3282 1.7467 H 1 UNL1111111111 0.1515 40 H -7.9890 -0.7719 -0.0121 H 1 UNL1111111111 0.1516 @BOND 1 1 14 1 2 2 18 1 3 3 15 1 4 3 35 1 5 4 15 2 6 5 19 2 7 6 11 1 8 6 13 1 9 6 30 1 10 7 9 1 11 7 19 am 12 7 31 1 13 8 19 am 14 8 20 1 15 8 34 1 16 9 10 1 17 9 12 1 18 9 26 1 19 10 11 1 20 10 27 1 21 10 28 1 22 11 15 1 23 11 29 1 24 12 13 ar 25 12 14 ar 26 13 16 ar 27 14 17 ar 28 16 18 ar 29 16 32 1 30 17 18 ar 31 17 33 1 32 20 21 ar 33 20 22 ar 34 21 23 ar 35 21 36 1 36 22 24 ar 37 22 37 1 38 23 25 ar 39 23 38 1 40 24 25 ar 41 24 39 1 42 25 40 1