@MOLECULE 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.6516 -3.5059 -0.4711 N.ar 1 UNL1111111111 -0.6418 2 C -5.7639 -2.8318 -0.9338 C.ar 1 UNL1111111111 0.5749 3 N -5.9185 -1.4835 -0.9387 N.ar 1 UNL1111111111 -0.5550 4 C -4.9561 -0.7530 -0.3106 C.ar 1 UNL1111111111 0.4348 5 C -3.8350 -1.3576 0.3635 C.ar 1 UNL1111111111 -0.4007 6 C -3.6964 -2.7750 0.1412 C.ar 1 UNL1111111111 0.4960 7 C -2.7173 4.4472 -1.3516 C.3 1 UNL1111111111 -0.2003 8 C -1.9878 -1.1003 2.0766 C.3 1 UNL1111111111 -0.4703 9 N -6.7721 -3.5956 -1.4517 N.pl3 1 UNL1111111111 -0.5714 10 N -2.5955 -3.5080 0.5161 N.pl3 1 UNL1111111111 -0.5883 11 O 8.9331 -2.4811 0.6385 O.2 1 UNL1111111111 -0.5034 12 O 10.2948 -1.4004 -0.7532 O.3 1 UNL1111111111 -0.5739 13 C 1.0298 2.5739 -0.8621 C.ar 1 UNL1111111111 -0.2556 14 C -0.1709 3.2709 -1.0309 C.ar 1 UNL1111111111 -0.2087 15 C -4.2500 1.3660 0.2955 C.ar 1 UNL1111111111 0.1378 16 C 0.0782 1.4408 1.0816 C.ar 1 UNL1111111111 -0.2253 17 C 5.7263 0.2225 -0.5327 C.3 1 UNL1111111111 -0.2670 18 C 4.4108 0.1305 0.2456 C.3 1 UNL1111111111 -0.2944 19 C 6.7665 -0.7350 0.0584 C.3 1 UNL1111111111 -0.2539 20 C 3.3770 1.0790 -0.3665 C.3 1 UNL1111111111 -0.0435 21 C 8.0966 -0.6083 -0.6890 C.3 1 UNL1111111111 -0.3488 22 C -2.3025 1.8409 1.7837 C.3 1 UNL1111111111 -0.2434 23 N -5.1179 0.6162 -0.3560 N.ar 1 UNL1111111111 -0.4039 24 O -2.4332 3.6740 -0.1951 O.3 1 UNL1111111111 -0.3238 25 O 2.2366 0.9173 0.4803 O.3 1 UNL1111111111 -0.3474 26 C 9.0828 -1.6011 -0.1661 C.2 1 UNL1111111111 0.6455 27 C -3.0067 -0.5200 1.1563 C.ar 1 UNL1111111111 0.1786 28 C 1.1407 1.6720 0.1885 C.ar 1 UNL1111111111 0.2062 29 C -3.1879 0.8488 1.0944 C.ar 1 UNL1111111111 -0.1938 30 C -1.1184 2.1127 0.9039 C.ar 1 UNL1111111111 -0.0005 31 C -1.2242 3.0401 -0.1575 C.ar 1 UNL1111111111 0.1585 32 H -3.7616 4.7440 -1.1809 H 1 UNL1111111111 0.1530 33 H -2.0710 5.3283 -1.3961 H 1 UNL1111111111 0.1276 34 H -2.6379 3.8435 -2.2616 H 1 UNL1111111111 0.1390 35 H -1.0287 -1.2683 1.5629 H 1 UNL1111111111 0.1660 36 H -1.7668 -0.4331 2.9264 H 1 UNL1111111111 0.1711 37 H -2.3266 -2.0443 2.5314 H 1 UNL1111111111 0.1717 38 H -6.6551 -4.5835 -1.5414 H 1 UNL1111111111 0.3205 39 H -7.5572 -3.1499 -1.8852 H 1 UNL1111111111 0.3265 40 H -1.7200 -3.0573 0.6828 H 1 UNL1111111111 0.3123 41 H -2.5664 -4.4838 0.2691 H 1 UNL1111111111 0.3186 42 H 1.8466 2.7508 -1.5525 H 1 UNL1111111111 0.1589 43 H -0.2594 3.9830 -1.8463 H 1 UNL1111111111 0.1611 44 H -4.3930 2.4556 0.2058 H 1 UNL1111111111 0.1849 45 H 0.2159 0.7321 1.8948 H 1 UNL1111111111 0.1720 46 H 5.5541 -0.0168 -1.6000 H 1 UNL1111111111 0.1396 47 H 6.1093 1.2610 -0.5091 H 1 UNL1111111111 0.1398 48 H 4.0201 -0.9059 0.2422 H 1 UNL1111111111 0.1556 49 H 4.5652 0.3823 1.3136 H 1 UNL1111111111 0.1572 50 H 6.9145 -0.5288 1.1374 H 1 UNL1111111111 0.1538 51 H 6.3996 -1.7808 0.0122 H 1 UNL1111111111 0.1573 52 H 3.7089 2.1310 -0.3365 H 1 UNL1111111111 0.1263 53 H 3.1069 0.7923 -1.3975 H 1 UNL1111111111 0.1274 54 H 7.9559 -0.7655 -1.7814 H 1 UNL1111111111 0.1811 55 H 8.5078 0.4214 -0.5984 H 1 UNL1111111111 0.1817 56 H -2.8535 2.7868 1.9941 H 1 UNL1111111111 0.1675 57 H -1.9857 1.4832 2.7864 H 1 UNL1111111111 0.1553 58 H 10.9934 -2.0303 -0.4518 H 1 UNL1111111111 0.3570 @BOND 1 1 2 ar 2 1 6 ar 3 2 3 ar 4 2 9 1 5 3 4 ar 6 4 5 ar 7 4 23 ar 8 5 6 ar 9 5 27 ar 10 6 10 1 11 7 24 1 12 7 32 1 13 7 33 1 14 7 34 1 15 8 27 1 16 8 35 1 17 8 36 1 18 8 37 1 19 9 38 1 20 9 39 1 21 10 40 1 22 10 41 1 23 11 26 2 24 12 26 1 25 12 58 1 26 13 14 ar 27 13 28 ar 28 13 42 1 29 14 31 ar 30 14 43 1 31 15 23 ar 32 15 29 ar 33 15 44 1 34 16 28 ar 35 16 30 ar 36 16 45 1 37 17 18 1 38 17 19 1 39 17 46 1 40 17 47 1 41 18 20 1 42 18 48 1 43 18 49 1 44 19 21 1 45 19 50 1 46 19 51 1 47 20 25 1 48 20 52 1 49 20 53 1 50 21 26 1 51 21 54 1 52 21 55 1 53 22 29 1 54 22 30 1 55 22 56 1 56 22 57 1 57 24 31 1 58 25 28 1 59 27 29 ar 60 30 31 ar