@MOLECULE 4-{[4-(2-biphenylylamino)-2-pyrimidinyl]amino}benzoic acid 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.2890 -1.8076 -0.7571 N.ar 1 UNL111111111 -0.5437 2 N 0.3098 -0.0002 -0.5017 N.ar 1 UNL111111111 -0.6059 3 N 2.5900 -0.3534 -0.9950 N.pl3 1 UNL111111111 -0.4829 4 N -1.9032 0.3999 -0.0271 N.pl3 1 UNL111111111 -0.4733 5 C -0.2780 -2.6260 -1.1191 C.ar 1 UNL111111111 0.2007 6 C -0.9587 -0.5206 -0.4509 C.ar 1 UNL111111111 0.5554 7 C 1.3057 -0.8412 -0.8834 C.ar 1 UNL111111111 0.4816 8 C 1.0439 -2.2057 -1.1943 C.ar 1 UNL111111111 -0.4777 9 C 2.9792 0.9739 -0.6684 C.ar 1 UNL111111111 0.1923 10 C 2.2218 2.0776 -1.0763 C.ar 1 UNL111111111 -0.1654 11 C 2.6765 3.3624 -0.7969 C.ar 1 UNL111111111 -0.1141 12 C 3.8847 3.5559 -0.1291 C.ar 1 UNL111111111 -0.1736 13 C 4.6427 2.4584 0.2706 C.ar 1 UNL111111111 -0.1158 14 C 4.1968 1.1631 0.0133 C.ar 1 UNL111111111 -0.0984 15 C 4.9893 0.0167 0.4747 C.ar 1 UNL111111111 -0.0247 16 C -3.2927 0.2201 0.0678 C.ar 1 UNL111111111 0.2868 17 C -3.9949 1.2292 0.7647 C.ar 1 UNL111111111 -0.2961 18 C -5.3737 1.1526 0.8843 C.ar 1 UNL111111111 -0.0074 19 C -6.0668 0.0817 0.3120 C.ar 1 UNL111111111 -0.2163 20 C -5.3718 -0.9146 -0.3822 C.ar 1 UNL111111111 -0.0162 21 C -3.9914 -0.8517 -0.5068 C.ar 1 UNL111111111 -0.2527 22 C -7.5206 -0.0380 0.4157 C.2 1 UNL111111111 0.6524 23 C 4.6299 -0.6390 1.6546 C.ar 1 UNL111111111 -0.1483 24 C 5.3764 -1.7285 2.0954 C.ar 1 UNL111111111 -0.1390 25 C 6.4781 -2.1636 1.3599 C.ar 1 UNL111111111 -0.1479 26 C 6.8370 -1.5070 0.1838 C.ar 1 UNL111111111 -0.1424 27 C 6.0944 -0.4156 -0.2609 C.ar 1 UNL111111111 -0.1604 28 O -8.2378 -0.8804 -0.0649 O.2 1 UNL111111111 -0.5162 29 O -8.0638 0.9619 1.1673 O.3 1 UNL111111111 -0.5674 30 H 3.3436 -1.0391 -1.0560 H 1 UNL111111111 0.3277 31 H -1.5244 1.3060 0.2704 H 1 UNL111111111 0.3375 32 H -0.5773 -3.6581 -1.3505 H 1 UNL111111111 0.1759 33 H 1.8367 -2.8793 -1.4842 H 1 UNL111111111 0.1861 34 H 1.2785 1.9294 -1.6038 H 1 UNL111111111 0.1824 35 H 2.0826 4.2210 -1.1070 H 1 UNL111111111 0.1508 36 H 4.2357 4.5633 0.0822 H 1 UNL111111111 0.1519 37 H 5.5863 2.6058 0.7956 H 1 UNL111111111 0.1578 38 H -3.4597 2.0612 1.2149 H 1 UNL111111111 0.1642 39 H -5.9212 1.9278 1.4280 H 1 UNL111111111 0.1696 40 H -5.9247 -1.7471 -0.8306 H 1 UNL111111111 0.1732 41 H -3.4647 -1.6417 -1.0499 H 1 UNL111111111 0.2095 42 H 3.7689 -0.2929 2.2260 H 1 UNL111111111 0.1635 43 H 5.0985 -2.2403 3.0154 H 1 UNL111111111 0.1536 44 H 7.0600 -3.0155 1.7059 H 1 UNL111111111 0.1490 45 H 7.6994 -1.8453 -0.3871 H 1 UNL111111111 0.1502 46 H 6.3748 0.1043 -1.1754 H 1 UNL111111111 0.1585 47 H -9.0464 0.8934 1.2477 H 1 UNL111111111 0.3553 @BOND 1 1 5 ar 2 2 7 ar 3 2 6 ar 4 3 7 1 5 3 30 1 6 4 6 1 7 4 31 1 8 5 32 1 9 6 1 ar 10 7 8 ar 11 8 5 ar 12 8 33 1 13 9 3 1 14 10 9 ar 15 10 34 1 16 11 10 ar 17 11 35 1 18 12 11 ar 19 12 13 ar 20 12 36 1 21 13 14 ar 22 13 37 1 23 14 9 ar 24 14 15 1 25 15 27 ar 26 15 23 ar 27 16 4 1 28 17 16 ar 29 17 38 1 30 18 17 ar 31 18 39 1 32 19 20 ar 33 19 18 ar 34 20 21 ar 35 20 40 1 36 21 16 ar 37 21 41 1 38 22 19 1 39 23 24 ar 40 23 42 1 41 24 25 ar 42 24 43 1 43 25 44 1 44 26 25 ar 45 26 45 1 46 27 26 ar 47 27 46 1 48 28 22 2 49 29 22 1 50 29 47 1