@MOLECULE trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}-2-pyrimidinyl)amino]cyclohexanol 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.8843 -0.3978 0.3995 N.pl3 1 UNL111111111 -0.5069 2 C -4.1006 0.7169 0.2717 C.ar 1 UNL111111111 0.5459 3 N -4.6810 1.9614 0.2435 N.ar 1 UNL111111111 -0.5389 4 C -3.8525 3.0184 0.1939 C.ar 1 UNL111111111 0.1825 5 C -2.4635 2.8914 0.1592 C.ar 1 UNL111111111 -0.4279 6 C -1.9456 1.5796 0.1777 C.ar 1 UNL111111111 0.4818 7 N -2.7434 0.4869 0.2250 N.ar 1 UNL111111111 -0.6018 8 N -0.5671 1.3246 0.1428 N.ar 1 UNL111111111 -0.2021 9 N 0.3105 2.3910 0.0205 N.ar 1 UNL111111111 -0.2036 10 C 1.5493 1.9049 0.0213 C.ar 1 UNL111111111 0.0123 11 C 0.1406 0.1130 0.2277 C.ar 1 UNL111111111 0.2112 12 C 1.5225 0.4673 0.1519 C.ar 1 UNL111111111 -0.2465 13 C 2.4867 -0.5492 0.2167 C.ar 1 UNL111111111 0.3156 14 C 2.0845 -1.8710 0.3611 C.ar 1 UNL111111111 -0.3689 15 C 0.7131 -2.1831 0.4325 C.ar 1 UNL111111111 -0.0156 16 C -0.2748 -1.2159 0.3663 C.ar 1 UNL111111111 -0.2539 17 C -6.3473 -0.3144 0.2489 C.3 1 UNL111111111 0.1053 18 C -6.9708 -1.5270 0.9713 C.3 1 UNL111111111 -0.3015 19 C -8.4919 -1.4729 0.8380 C.3 1 UNL111111111 -0.2949 20 C -8.8938 -1.4404 -0.6440 C.3 1 UNL111111111 0.1665 21 C -8.2583 -0.2497 -1.3782 C.3 1 UNL111111111 -0.3292 22 C -6.7371 -0.3083 -1.2463 C.3 1 UNL111111111 -0.3076 23 O -10.3053 -1.2954 -0.6140 O.3 1 UNL111111111 -0.5751 24 O 3.7560 -0.0960 0.1270 O.3 1 UNL111111111 -0.3303 25 C 4.8055 -1.0703 0.1672 C.3 1 UNL111111111 -0.0425 26 C 6.0657 -0.2242 -0.0492 C.3 1 UNL111111111 -0.2651 27 C 7.3023 -1.1105 0.0643 C.3 1 UNL111111111 -0.5914 28 S 8.8028 -0.1671 -0.2765 S.O2 1 UNL111111111 2.2264 29 C 10.1201 -1.3494 -0.0547 C.3 1 UNL111111111 -0.7637 30 O 8.7768 0.2027 -1.6740 O.2 1 UNL111111111 -0.9066 31 O 8.9346 0.8361 0.7559 O.2 1 UNL111111111 -0.9055 32 H -4.4458 -1.3039 0.2852 H 1 UNL111111111 0.3235 33 H -4.3437 4.0015 0.1785 H 1 UNL111111111 0.1767 34 H -1.8054 3.7544 0.1166 H 1 UNL111111111 0.2135 35 H 2.4238 2.5314 -0.0650 H 1 UNL111111111 0.1974 36 H 2.8057 -2.6759 0.4220 H 1 UNL111111111 0.1605 37 H 0.4270 -3.2313 0.5444 H 1 UNL111111111 0.1502 38 H -1.3330 -1.4648 0.4204 H 1 UNL111111111 0.1956 39 H -6.7049 0.6392 0.7297 H 1 UNL111111111 0.1767 40 H -6.5818 -2.4746 0.5556 H 1 UNL111111111 0.1413 41 H -6.6805 -1.5188 2.0404 H 1 UNL111111111 0.1555 42 H -8.9647 -2.3419 1.3337 H 1 UNL111111111 0.1518 43 H -8.9064 -0.5834 1.3531 H 1 UNL111111111 0.1619 44 H -8.6620 -2.4017 -1.1515 H 1 UNL111111111 0.1101 45 H -8.5543 -0.2458 -2.4420 H 1 UNL111111111 0.1391 46 H -8.6472 0.6988 -0.9559 H 1 UNL111111111 0.1623 47 H -6.2759 0.5686 -1.7442 H 1 UNL111111111 0.1607 48 H -6.3332 -1.1990 -1.7590 H 1 UNL111111111 0.1425 49 H -10.6660 -1.1673 -1.5088 H 1 UNL111111111 0.3149 50 H 4.7933 -1.5683 1.1511 H 1 UNL111111111 0.1275 51 H 4.6541 -1.8076 -0.6393 H 1 UNL111111111 0.1285 52 H 6.0058 0.2754 -1.0426 H 1 UNL111111111 0.1746 53 H 6.0874 0.6050 0.6942 H 1 UNL111111111 0.1761 54 H 7.3574 -1.5526 1.0765 H 1 UNL111111111 0.1681 55 H 7.2269 -1.9581 -0.6423 H 1 UNL111111111 0.1681 56 H 10.0309 -2.2116 -0.7226 H 1 UNL111111111 0.1790 57 H 11.0927 -0.8868 -0.2813 H 1 UNL111111111 0.1949 58 H 10.1896 -1.7138 0.9753 H 1 UNL111111111 0.1805 @BOND 1 1 17 1 2 1 2 1 3 1 32 1 4 2 7 ar 5 3 2 ar 6 3 4 ar 7 4 5 ar 8 4 33 1 9 5 6 ar 10 5 34 1 11 6 8 1 12 7 6 ar 13 8 11 ar 14 8 9 ar 15 9 10 ar 16 10 35 1 17 11 12 ar 18 12 10 ar 19 12 13 ar 20 13 24 1 21 14 13 ar 22 14 36 1 23 15 14 ar 24 15 37 1 25 16 11 ar 26 16 15 ar 27 16 38 1 28 17 18 1 29 17 39 1 30 18 19 1 31 18 40 1 32 18 41 1 33 19 42 1 34 19 43 1 35 20 23 1 36 20 19 1 37 20 44 1 38 21 20 1 39 21 45 1 40 21 46 1 41 22 21 1 42 22 17 1 43 22 47 1 44 22 48 1 45 23 49 1 46 24 25 1 47 25 26 1 48 25 50 1 49 25 51 1 50 26 27 1 51 26 52 1 52 26 53 1 53 27 28 1 54 27 54 1 55 27 55 1 56 28 31 2 57 28 29 1 58 29 56 1 59 29 57 1 60 29 58 1 61 30 28 2