@MOLECULE (2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.8303 -1.4050 0.4131 C.3 1 UNL1111111111 -0.0805 2 N 0.6085 2.1750 -0.8360 N.ar 1 UNL1111111111 -0.5421 3 C 1.4595 3.2129 -0.9266 C.ar 1 UNL1111111111 0.2038 4 C 1.1551 0.9460 -0.5746 C.ar 1 UNL1111111111 0.5616 5 C 3.3292 1.7787 -0.5062 C.ar 1 UNL1111111111 0.4872 6 C 2.8386 3.0837 -0.7720 C.ar 1 UNL1111111111 -0.4927 7 N 2.5018 0.7141 -0.3989 N.ar 1 UNL1111111111 -0.6195 8 C 6.6234 -2.0427 0.6704 C.ar 1 UNL1111111111 -0.1996 9 C 7.0956 -0.8264 1.1588 C.ar 1 UNL1111111111 -0.1038 10 C 6.4328 0.3460 0.8242 C.ar 1 UNL1111111111 -0.0902 11 C 5.2974 0.3595 -0.0063 C.ar 1 UNL1111111111 0.2184 12 C 5.5022 -2.0268 -0.1507 C.ar 1 UNL1111111111 0.0601 13 C -3.2079 0.5436 -1.1469 C.ar 1 UNL1111111111 -0.2162 14 C -1.8285 0.6557 -1.1973 C.ar 1 UNL1111111111 -0.1096 15 C 4.8360 -0.8667 -0.5115 C.ar 1 UNL1111111111 -0.1960 16 C -1.0312 -0.2175 -0.4404 C.ar 1 UNL1111111111 0.1224 17 C -3.7870 -0.4516 -0.3425 C.ar 1 UNL1111111111 0.2385 18 C -3.0068 -1.3296 0.4078 C.ar 1 UNL1111111111 -0.2609 19 C -1.6212 -1.2054 0.3599 C.ar 1 UNL1111111111 -0.1560 20 O -5.1458 -0.4455 -0.3921 O.3 1 UNL1111111111 -0.3550 21 N 4.6956 1.5855 -0.3528 N.pl3 1 UNL1111111111 -0.4857 22 N 0.3876 -0.1896 -0.4936 N.pl3 1 UNL1111111111 -0.4517 23 CL 7.0327 1.8084 1.4728 Cl 1 UNL1111111111 -0.0665 24 CL 4.9109 -3.5125 -0.7550 Cl 1 UNL1111111111 -0.0716 25 C -7.3169 -1.0878 0.1554 C.3 1 UNL1111111111 0.1413 26 C -7.6538 0.3571 0.5900 C.3 1 UNL1111111111 -0.1879 27 N -9.1283 0.5038 0.5298 N.3 1 UNL1111111111 -0.4013 28 C -9.6084 1.4783 1.5326 C.3 1 UNL1111111111 -0.2796 29 C -9.5740 0.8949 -0.8245 C.3 1 UNL1111111111 -0.2815 30 O -8.0066 -2.0287 0.9525 O.3 1 UNL1111111111 -0.5693 31 H -5.5641 -1.2759 1.4754 H 1 UNL1111111111 0.1424 32 H -5.5787 -2.4268 0.0808 H 1 UNL1111111111 0.1455 33 H 0.9886 4.1847 -1.1344 H 1 UNL1111111111 0.1744 34 H 3.4967 3.9347 -0.8526 H 1 UNL1111111111 0.1849 35 H 7.1241 -2.9741 0.9307 H 1 UNL1111111111 0.1778 36 H 7.9756 -0.8035 1.8057 H 1 UNL1111111111 0.1759 37 H -3.8461 1.2125 -1.7199 H 1 UNL1111111111 0.1724 38 H -1.3647 1.4266 -1.8199 H 1 UNL1111111111 0.1929 39 H 3.9618 -0.8983 -1.1716 H 1 UNL1111111111 0.2140 40 H -3.4543 -2.1008 1.0268 H 1 UNL1111111111 0.1658 41 H -1.0027 -1.8786 0.9521 H 1 UNL1111111111 0.1592 42 H 5.2701 2.4254 -0.2878 H 1 UNL1111111111 0.3323 43 H 0.8770 -1.0477 -0.2273 H 1 UNL1111111111 0.3342 44 H -7.5965 -1.2751 -0.9038 H 1 UNL1111111111 0.1312 45 H -7.1025 1.0810 -0.0450 H 1 UNL1111111111 0.1433 46 H -7.2991 0.5173 1.6307 H 1 UNL1111111111 0.1513 47 H -10.7090 1.5329 1.4835 H 1 UNL1111111111 0.1472 48 H -9.3470 1.1163 2.5414 H 1 UNL1111111111 0.1473 49 H -9.2057 2.4947 1.4100 H 1 UNL1111111111 0.1232 50 H -9.1929 0.1697 -1.5625 H 1 UNL1111111111 0.1472 51 H -10.6755 0.8491 -0.8623 H 1 UNL1111111111 0.1473 52 H -9.2563 1.9020 -1.1340 H 1 UNL1111111111 0.1233 53 H -8.9133 -1.6812 1.1406 H 1 UNL1111111111 0.3513 @BOND 1 1 20 1 2 1 25 1 3 1 31 1 4 1 32 1 5 2 3 ar 6 2 4 ar 7 3 6 ar 8 3 33 1 9 4 7 ar 10 4 22 1 11 5 6 ar 12 5 7 ar 13 5 21 1 14 6 34 1 15 8 9 ar 16 8 12 ar 17 8 35 1 18 9 10 ar 19 9 36 1 20 10 11 ar 21 10 23 1 22 11 15 ar 23 11 21 1 24 12 15 ar 25 12 24 1 26 13 14 ar 27 13 17 ar 28 13 37 1 29 14 16 ar 30 14 38 1 31 15 39 1 32 16 19 ar 33 16 22 1 34 17 18 ar 35 17 20 1 36 18 19 ar 37 18 40 1 38 19 41 1 39 21 42 1 40 22 43 1 41 25 26 1 42 25 30 1 43 25 44 1 44 26 27 1 45 26 45 1 46 26 46 1 47 27 28 1 48 27 29 1 49 28 47 1 50 28 48 1 51 28 49 1 52 29 50 1 53 29 51 1 54 29 52 1 55 30 53 1