@MOLECULE 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.3462 2.4644 1.0810 F 1 UNL111111111 0.0187 2 C -5.4563 1.6389 0.0392 C.3 1 UNL111111111 -0.3574 3 F -6.7254 1.2381 0.0715 F 1 UNL111111111 0.0229 4 F -5.3917 2.4351 -1.0287 F 1 UNL111111111 0.0165 5 C -4.4190 0.5448 0.0342 C.ar 1 UNL111111111 0.5287 6 C -4.8243 -0.8166 0.1014 C.ar 1 UNL111111111 -0.4811 7 C -3.8866 -1.8127 0.1066 C.ar 1 UNL111111111 -0.0833 8 C -3.1018 0.9077 -0.0314 C.ar 1 UNL111111111 -0.5604 9 C -2.0975 -0.1130 -0.0282 C.ar 1 UNL111111111 0.3618 10 C -2.5012 -1.4836 0.0455 C.ar 1 UNL111111111 -0.0679 11 N -1.5678 -2.4766 0.0616 N.ar 1 UNL111111111 -0.2011 12 N -0.7905 0.2360 -0.0908 N.ar 1 UNL111111111 -0.4256 13 C 0.1399 -0.7558 -0.0777 C.ar 1 UNL111111111 0.2385 14 CA -0.2916 -2.1553 0.0056 C.ar 1 UNL111111111 0.1169 15 C 0.7159 -3.2385 0.0284 C.2 1 UNL111111111 0.2076 16 O 0.1818 -4.4701 0.0829 O.3 1 UNL111111111 -0.3352 17 OXT 1.9173 -3.0759 0.0012 O.2 1 UNL111111111 -0.3901 18 N 1.4421 -0.4125 -0.1487 N.pl3 1 UNL111111111 -0.3476 19 C 1.8551 1.0005 -0.2348 C.3 1 UNL111111111 -0.7572 20 C 3.3525 1.0591 -0.1953 C.ar 1 UNL111111111 0.3066 21 C 4.0861 0.9520 -1.3835 C.ar 1 UNL111111111 -0.2687 22 C 5.4704 0.9909 -1.3572 C.ar 1 UNL111111111 -0.3182 23 C 6.1196 1.1401 -0.1187 C.ar 1 UNL111111111 0.1815 24 O 7.4707 1.1668 -0.2359 O.3 1 UNL111111111 -0.0354 25 C 8.2285 1.3135 0.9577 C.3 1 UNL111111111 -0.7525 26 C 5.4046 1.2459 1.0747 C.ar 1 UNL111111111 -0.3374 27 C 4.0130 1.2021 1.0236 C.ar 1 UNL111111111 -0.2822 28 H -5.8836 -1.0718 0.1497 H 1 UNL111111111 0.2767 29 H -4.1625 -2.8696 0.1578 H 1 UNL111111111 0.2266 30 H -2.7680 1.9480 -0.0847 H 1 UNL111111111 0.3151 31 H 1.4413 1.4504 -1.1718 H 1 UNL111111111 0.3215 32 H 3.5650 0.8336 -2.3351 H 1 UNL111111111 0.2384 33 H 6.0607 0.9060 -2.2664 H 1 UNL111111111 0.2354 34 H 8.0599 0.4707 1.6354 H 1 UNL111111111 0.2505 35 H 9.2600 1.3005 0.5778 H 1 UNL111111111 0.2962 36 H 8.0119 2.2698 1.4434 H 1 UNL111111111 0.2510 37 H 5.9081 1.3568 2.0284 H 1 UNL111111111 0.2191 38 H 3.4403 1.2774 1.9494 H 1 UNL111111111 0.2417 39 H 2.1686 -1.1310 -0.1181 H 1 UNL111111111 0.4573 40 H 1.3892 1.5801 0.6013 H 1 UNL111111111 0.3202 41 H 0.8803 -5.1839 0.0963 H 1 UNL111111111 0.3516 @BOND 1 2 3 1 2 2 1 1 3 4 2 1 4 5 2 1 5 6 5 ar 6 6 28 1 7 7 6 ar 8 7 29 1 9 8 5 ar 10 8 30 1 11 9 8 ar 12 10 7 ar 13 10 9 ar 14 11 10 ar 15 12 9 ar 16 13 12 ar 17 14 11 ar 18 14 13 ar 19 15 14 1 20 16 15 1 21 16 41 1 22 17 15 2 23 18 13 1 24 18 19 1 25 18 39 1 26 19 31 1 27 19 40 1 28 20 21 ar 29 20 19 1 30 21 32 1 31 22 21 ar 32 22 33 1 33 23 22 ar 34 24 23 1 35 25 24 1 36 25 34 1 37 25 35 1 38 25 36 1 39 26 23 ar 40 26 27 ar 41 26 37 1 42 27 20 ar 43 27 38 1