@MOLECULE {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.3685 0.0013 -0.1919 C.ar 1 UNL1111 -0.0621 2 CL 5.8503 1.4237 0.9205 Cl 1 UNL1111 -0.0680 3 N -3.9914 1.2730 -0.5453 N.pl3 1 UNL1111 0.6113 4 O -3.4951 1.9071 -1.4640 O.2 1 UNL1111 -0.4026 5 O -4.9586 1.6418 0.0936 O.2 1 UNL1111 -0.3567 6 C -2.4838 -0.5744 -1.1026 C.ar 1 UNL1111 -0.1102 7 C -1.8523 -1.7754 -0.7785 C.ar 1 UNL1111 -0.0208 8 C -0.8083 -2.3428 -1.7101 C.3 1 UNL1111 -0.0761 9 N 0.4610 -1.6545 -1.4569 N.am 1 UNL1111 -0.5736 10 C 1.3030 -2.1536 -0.4775 C.2 1 UNL1111 0.6005 11 C 2.4334 -1.2600 -0.1102 C.ar 1 UNL1111 -0.2263 12 C 3.7402 -1.7242 -0.2295 C.ar 1 UNL1111 -0.0129 13 C 4.8132 -0.8907 0.0900 C.ar 1 UNL1111 -0.2372 14 C 4.5411 0.3950 0.5375 C.ar 1 UNL1111 0.1102 15 C 3.2530 0.8918 0.6975 C.ar 1 UNL1111 -0.3092 16 C 2.2010 0.0363 0.3760 C.ar 1 UNL1111 0.2701 17 O 0.8784 0.3099 0.5795 O.3 1 UNL1111 -0.3070 18 C 0.4565 1.6574 0.5369 C.3 1 UNL1111 -0.1206 19 C 0.1563 2.0216 -0.8984 C.2 1 UNL1111 0.6199 20 O 0.1827 1.3067 -1.8658 O.2 1 UNL1111 -0.5174 21 O -0.1695 3.3262 -0.9760 O.3 1 UNL1111 -0.5312 22 O 1.1537 -3.2664 -0.0153 O.2 1 UNL1111 -0.5242 23 C -2.1127 -2.3969 0.4426 C.ar 1 UNL1111 -0.0995 24 C -3.0057 -1.8236 1.3454 C.ar 1 UNL1111 -0.1273 25 C -3.6415 -0.6162 1.0389 C.ar 1 UNL1111 0.0173 26 C -4.5284 -0.0532 1.9992 C.1 1 UNL1111 0.0960 27 N -5.2362 0.3735 2.8088 N.1 1 UNL1111 -0.1814 28 H -2.2703 -0.0743 -2.0570 H 1 UNL1111 0.1998 29 H -0.6799 -3.4445 -1.5634 H 1 UNL1111 0.1794 30 H -1.0874 -2.1992 -2.7806 H 1 UNL1111 0.1598 31 H 0.4786 -0.6629 -1.6902 H 1 UNL1111 0.3395 32 H 3.9196 -2.7461 -0.5792 H 1 UNL1111 0.1780 33 H 5.8369 -1.2508 -0.0121 H 1 UNL1111 0.1845 34 H 3.0813 1.8983 1.0714 H 1 UNL1111 0.1872 35 H -0.4774 1.6387 1.1465 H 1 UNL1111 0.1956 36 H 1.1640 2.3629 1.0124 H 1 UNL1111 0.1782 37 H -1.5933 -3.3271 0.7010 H 1 UNL1111 0.1871 38 H -3.2034 -2.3134 2.3024 H 1 UNL1111 0.1784 39 H -0.4668 3.6149 -1.8814 H 1 UNL1111 0.3718 @BOND 1 1 3 1 2 1 6 ar 3 1 25 ar 4 2 14 1 5 3 4 2 6 3 5 2 7 6 7 ar 8 6 28 1 9 7 8 1 10 7 23 ar 11 8 9 1 12 8 29 1 13 8 30 1 14 9 10 am 15 9 31 1 16 10 11 1 17 10 22 2 18 11 12 ar 19 11 16 ar 20 12 13 ar 21 12 32 1 22 13 14 ar 23 13 33 1 24 14 15 ar 25 15 16 ar 26 15 34 1 27 16 17 1 28 17 18 1 29 18 19 1 30 18 35 1 31 18 36 1 32 19 20 2 33 19 21 1 34 21 39 1 35 23 24 ar 36 23 37 1 37 24 25 ar 38 24 38 1 39 25 26 1 40 26 27 3