@MOLECULE 2,2'-{[4-(4-{[(4,6-diamino-2-pyrimidinyl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-1,2-phenylene]bis(oxy)}diethanol 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.3654 -2.7274 1.9552 O.3 1 UNL1111111111 -0.5466 2 C 4.8840 -3.5850 0.9447 C.3 1 UNL1111111111 -0.0273 3 C 3.6739 -2.9546 0.2488 C.3 1 UNL1111111111 -0.0944 4 O 4.1929 -1.9096 -0.5830 O.3 1 UNL1111111111 -0.3433 5 C 3.7998 -0.6514 -0.2212 C.ar 1 UNL1111111111 0.1158 6 C 2.4713 -0.2564 -0.2670 C.ar 1 UNL1111111111 -0.1362 7 C 4.8067 0.2844 0.1033 C.ar 1 UNL1111111111 0.1928 8 O 6.0496 -0.2460 0.2112 O.3 1 UNL1111111111 -0.3554 9 C 7.1624 0.6334 0.0163 C.3 1 UNL1111111111 -0.0954 10 C 8.2962 -0.3561 -0.2848 C.3 1 UNL1111111111 -0.0156 11 O 8.0709 -0.9746 -1.5312 O.3 1 UNL1111111111 -0.5348 12 C 4.4745 1.6126 0.3515 C.ar 1 UNL1111111111 -0.2576 13 C 3.1366 2.0049 0.3049 C.ar 1 UNL1111111111 -0.0953 14 C 2.1360 1.0802 -0.0003 C.ar 1 UNL1111111111 -0.0577 15 C 0.7339 1.4526 -0.0302 C.ar 1 UNL1111111111 0.0958 16 N -0.2507 0.6652 0.3311 N.ar 1 UNL1111111111 -0.3622 17 S 0.1527 3.0455 -0.6052 S.2 1 UNL1111111111 0.1184 18 C -1.4972 2.5485 -0.2984 C.ar 1 UNL1111111111 -0.1681 19 C -2.6529 3.4370 -0.5195 C.3 1 UNL1111111111 -0.2618 20 C -3.0492 4.1385 0.7942 C.3 1 UNL1111111111 -0.2416 21 C -4.3524 4.9147 0.6182 C.3 1 UNL1111111111 -0.4404 22 C -1.5082 1.2610 0.1835 C.ar 1 UNL1111111111 0.0971 23 C -2.6868 0.4584 0.5664 C.3 1 UNL1111111111 -0.3182 24 S -3.2507 -0.4001 -0.9635 S.3 1 UNL1111111111 0.1623 25 C -4.7526 -1.1781 -0.4196 C.ar 1 UNL1111111111 0.3509 26 N -5.4083 -1.8841 -1.3591 N.ar 1 UNL1111111111 -0.5832 27 N -5.1247 -1.0209 0.8683 N.ar 1 UNL1111111111 -0.6195 28 C -6.2817 -1.6533 1.2559 C.ar 1 UNL1111111111 0.5014 29 N -6.6350 -1.4772 2.5661 N.pl3 1 UNL1111111111 -0.5981 30 C -7.0502 -2.4246 0.3607 C.ar 1 UNL1111111111 -0.5834 31 C -6.5668 -2.5095 -0.9615 C.ar 1 UNL1111111111 0.4960 32 N -7.2134 -3.2163 -1.9376 N.pl3 1 UNL1111111111 -0.5944 33 H 5.6499 -1.8757 1.5549 H 1 UNL1111111111 0.3290 34 H 5.6993 -3.8025 0.2309 H 1 UNL1111111111 0.1272 35 H 4.6100 -4.5055 1.4932 H 1 UNL1111111111 0.1456 36 H 3.1857 -3.6470 -0.4597 H 1 UNL1111111111 0.1453 37 H 2.9340 -2.5865 0.9802 H 1 UNL1111111111 0.1529 38 H 1.6869 -0.9794 -0.5091 H 1 UNL1111111111 0.1923 39 H 6.9742 1.3079 -0.8371 H 1 UNL1111111111 0.1495 40 H 7.3282 1.2110 0.9393 H 1 UNL1111111111 0.1358 41 H 9.2682 0.1554 -0.4111 H 1 UNL1111111111 0.1502 42 H 8.3786 -1.1351 0.4964 H 1 UNL1111111111 0.1332 43 H 7.1771 -1.3888 -1.5344 H 1 UNL1111111111 0.3305 44 H 5.2412 2.3397 0.6030 H 1 UNL1111111111 0.1671 45 H 2.8867 3.0428 0.5285 H 1 UNL1111111111 0.1637 46 H -2.4639 4.1961 -1.3068 H 1 UNL1111111111 0.1533 47 H -3.5218 2.8532 -0.9054 H 1 UNL1111111111 0.1732 48 H -3.1595 3.3901 1.6031 H 1 UNL1111111111 0.1430 49 H -2.2398 4.8179 1.1208 H 1 UNL1111111111 0.1371 50 H -5.1821 4.2509 0.3460 H 1 UNL1111111111 0.1497 51 H -4.6352 5.4280 1.5442 H 1 UNL1111111111 0.1421 52 H -4.2668 5.6760 -0.1649 H 1 UNL1111111111 0.1422 53 H -2.4404 -0.2934 1.3506 H 1 UNL1111111111 0.2000 54 H -3.5045 1.0761 0.9920 H 1 UNL1111111111 0.1857 55 H -6.0518 -0.9359 3.1737 H 1 UNL1111111111 0.3223 56 H -7.4364 -1.9246 2.9485 H 1 UNL1111111111 0.3103 57 H -7.9542 -2.9190 0.6677 H 1 UNL1111111111 0.1841 58 H -8.0556 -3.7092 -1.7468 H 1 UNL1111111111 0.3104 59 H -6.8322 -3.2547 -2.8635 H 1 UNL1111111111 0.3240 @BOND 1 1 33 1 2 2 1 1 3 2 34 1 4 2 35 1 5 3 2 1 6 3 36 1 7 3 37 1 8 4 3 1 9 5 4 1 10 6 5 ar 11 6 38 1 12 7 8 1 13 7 5 ar 14 9 8 1 15 9 39 1 16 9 40 1 17 10 11 1 18 10 9 1 19 10 41 1 20 10 42 1 21 11 43 1 22 12 7 ar 23 12 44 1 24 13 12 ar 25 13 14 ar 26 13 45 1 27 14 6 ar 28 15 14 1 29 15 16 ar 30 17 18 ar 31 17 15 ar 32 18 22 ar 33 19 18 1 34 19 20 1 35 19 46 1 36 19 47 1 37 20 48 1 38 20 49 1 39 21 20 1 40 21 50 1 41 21 51 1 42 21 52 1 43 22 16 ar 44 22 23 1 45 23 53 1 46 23 54 1 47 24 23 1 48 25 24 1 49 26 25 ar 50 27 25 ar 51 28 27 ar 52 29 28 1 53 29 55 1 54 29 56 1 55 30 31 ar 56 30 28 ar 57 30 57 1 58 31 26 ar 59 32 31 1 60 32 58 1 61 32 59 1