@MOLECULE 3-{[6-(cyclohexylmethoxy)-3h-purin-2-yl]amino}benzenesulfonamide 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1228 2.1917 -0.2909 C.ar 1 UNL1111 0.5656 2 C -4.0082 4.2308 0.4857 C.ar 1 UNL1111 0.1089 3 C -2.3973 -1.1319 -0.6140 C.3 1 UNL1111 -0.0623 4 C -3.5335 -2.1353 -0.3891 C.3 1 UNL1111 -0.1139 5 C -3.9960 -2.0904 1.0758 C.3 1 UNL1111 -0.2698 6 C -5.0888 -3.1368 1.3225 C.3 1 UNL1111 -0.2647 7 C -4.5855 -4.5395 0.9579 C.3 1 UNL1111 -0.2661 8 C -4.1238 -4.5818 -0.5048 C.3 1 UNL1111 -0.2634 9 C -3.0262 -3.5399 -0.7567 C.3 1 UNL1111 -0.2781 10 C 3.3691 -1.5086 -1.0081 C.ar 1 UNL1111 -0.1065 11 C 3.8581 -0.5092 -0.1709 C.ar 1 UNL1111 -0.3287 12 N 1.2423 2.0738 -0.4512 N.pl3 1 UNL1111 -0.4740 13 C 3.1394 0.6637 0.0310 C.ar 1 UNL1111 -0.1550 14 C 1.9167 0.8418 -0.6358 C.ar 1 UNL1111 0.1895 15 N 6.5363 0.0995 -0.3430 N.3 1 UNL1111 -0.9445 16 N -0.9186 1.0775 -0.4345 N.ar 1 UNL1111 -0.6410 17 C -2.2526 1.2030 -0.2719 C.ar 1 UNL1111 0.5032 18 O -3.0436 0.1432 -0.3783 O.3 1 UNL1111 -0.2455 19 C -2.8276 2.4590 0.0212 C.ar 1 UNL1111 -0.2088 20 N -4.1179 2.9309 0.2420 N.ar 1 UNL1111 -0.2819 21 N -2.6540 4.6714 0.4371 N.ar 1 UNL1111 -0.4118 22 C -1.8942 3.5537 0.1431 C.ar 1 UNL1111 0.3187 23 N -0.5522 3.4596 0.0038 N.ar 1 UNL1111 -0.5711 24 C 1.4268 -0.1516 -1.4957 C.ar 1 UNL1111 -0.1308 25 C 2.1535 -1.3242 -1.6676 C.ar 1 UNL1111 -0.1463 26 S 5.3902 -0.7386 0.6599 S.O2 1 UNL1111 2.3412 27 O 5.3645 -0.0092 1.9046 O.2 1 UNL1111 -0.9058 28 O 5.7503 -2.1347 0.5876 O.2 1 UNL1111 -0.9147 29 H -4.8158 4.9124 0.6998 H 1 UNL1111 0.1965 30 H -2.0142 -1.1310 -1.6473 H 1 UNL1111 0.1393 31 H -1.5593 -1.2671 0.0920 H 1 UNL1111 0.1526 32 H -4.3958 -1.8683 -1.0474 H 1 UNL1111 0.1522 33 H -3.1419 -2.2648 1.7556 H 1 UNL1111 0.1393 34 H -4.3776 -1.0781 1.3181 H 1 UNL1111 0.1535 35 H -5.9895 -2.8913 0.7292 H 1 UNL1111 0.1371 36 H -5.4057 -3.1103 2.3812 H 1 UNL1111 0.1318 37 H -5.3818 -5.2863 1.1265 H 1 UNL1111 0.1288 38 H -3.7518 -4.8264 1.6254 H 1 UNL1111 0.1364 39 H -4.9831 -4.3975 -1.1761 H 1 UNL1111 0.1367 40 H -3.7519 -5.5914 -0.7564 H 1 UNL1111 0.1288 41 H -2.7121 -3.5713 -1.8154 H 1 UNL1111 0.1305 42 H -2.1298 -3.7902 -0.1582 H 1 UNL1111 0.1410 43 H 3.9192 -2.4443 -1.1522 H 1 UNL1111 0.1728 44 H 1.8016 2.8945 -0.2102 H 1 UNL1111 0.3396 45 H 3.5006 1.4372 0.7164 H 1 UNL1111 0.1795 46 H 7.1946 -0.4691 -0.8485 H 1 UNL1111 0.2933 47 H 7.0006 0.8923 0.0694 H 1 UNL1111 0.2945 48 H -2.3023 5.5920 0.5855 H 1 UNL1111 0.3354 49 H 0.4792 -0.0072 -2.0195 H 1 UNL1111 0.1844 50 H 1.7716 -2.1039 -2.3248 H 1 UNL1111 0.1536 @BOND 1 1 12 1 2 1 16 ar 3 1 23 ar 4 2 20 ar 5 2 21 ar 6 2 29 1 7 3 4 1 8 3 18 1 9 3 30 1 10 3 31 1 11 4 5 1 12 4 9 1 13 4 32 1 14 5 6 1 15 5 33 1 16 5 34 1 17 6 7 1 18 6 35 1 19 6 36 1 20 7 8 1 21 7 37 1 22 7 38 1 23 8 9 1 24 8 39 1 25 8 40 1 26 9 41 1 27 9 42 1 28 10 11 ar 29 10 25 ar 30 10 43 1 31 11 13 ar 32 11 26 1 33 12 14 1 34 12 44 1 35 13 14 ar 36 13 45 1 37 14 24 ar 38 15 26 1 39 15 46 1 40 15 47 1 41 16 17 ar 42 17 18 1 43 17 19 ar 44 19 20 ar 45 19 22 ar 46 21 22 ar 47 21 48 1 48 22 23 ar 49 24 25 ar 50 24 49 1 51 25 50 1 52 26 27 2 53 26 28 2