@MOLECULE 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]-4-pyrimidinyl}amino)-2-methyl-1-isoindolinone 76 81 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.7868 -1.7861 0.5395 C.3 1 UNL1111111111 -0.0934 2 C 7.1631 -2.3866 -0.8283 C.3 1 UNL1111111111 -0.3062 3 C 8.5659 -1.9303 -1.2584 C.3 1 UNL1111111111 -0.2602 4 C 8.9584 -0.6123 -0.5756 C.3 1 UNL1111111111 -0.2802 5 C 7.7289 0.2901 -0.3893 C.3 1 UNL1111111111 -0.0929 6 N 6.7711 -0.3088 0.5742 N.3 1 UNL1111111111 -0.4698 7 C 5.4326 0.3083 0.4582 C.3 1 UNL1111111111 0.0745 8 C 4.5745 -0.1902 -0.7274 C.3 1 UNL1111111111 -0.3525 9 C 3.2745 0.6224 -0.8014 C.3 1 UNL1111111111 -0.0903 10 C 4.6761 0.1051 1.7946 C.3 1 UNL1111111111 -0.2984 11 C 3.1649 -0.0738 1.5718 C.3 1 UNL1111111111 -0.0929 12 N 2.7151 0.8984 0.5512 N.pl3 1 UNL1111111111 -0.4268 13 C 1.2908 1.0457 0.4929 C.ar 1 UNL1111111111 0.0759 14 C 0.3622 0.0026 0.6845 C.ar 1 UNL1111111111 -0.1376 15 C -1.0046 0.2232 0.6256 C.ar 1 UNL1111111111 -0.1881 16 C 0.7889 2.3189 0.2671 C.ar 1 UNL1111111111 0.0149 17 C 1.5170 3.6273 0.0843 C.3 1 UNL1111111111 -0.0718 18 N 0.4109 4.6133 -0.0050 N.am 1 UNL1111111111 -0.4824 19 C 0.6541 5.9483 -0.5173 C.3 1 UNL1111111111 -0.2150 20 C -0.8329 3.9906 -0.0382 C.2 1 UNL1111111111 0.6004 21 O -1.8938 4.5611 -0.1801 O.2 1 UNL1111111111 -0.5458 22 C -0.5955 2.5450 0.1975 C.ar 1 UNL1111111111 -0.2575 23 C -1.5166 1.5069 0.3437 C.ar 1 UNL1111111111 0.2695 24 N -2.8794 1.8430 0.2522 N.pl3 1 UNL1111111111 -0.4565 25 C -3.9052 0.9772 -0.0593 C.ar 1 UNL1111111111 0.4780 26 N -3.6123 -0.3309 -0.2857 N.ar 1 UNL1111111111 -0.5963 27 C -5.2516 1.4204 -0.1332 C.ar 1 UNL1111111111 -0.3581 28 CL -5.6664 3.0349 0.1298 Cl 1 UNL1111111111 -0.0131 29 C -6.2473 0.4864 -0.4223 C.ar 1 UNL1111111111 0.1867 30 N -5.9720 -0.8082 -0.6306 N.ar 1 UNL1111111111 -0.5336 31 C -4.6443 -1.1788 -0.5622 C.ar 1 UNL1111111111 0.5485 32 N -4.3819 -2.4999 -0.8466 N.pl3 1 UNL1111111111 -0.4364 33 C -3.1065 -3.0781 -0.6153 C.ar 1 UNL1111111111 0.0813 34 C -1.9375 -2.5150 -1.1250 C.ar 1 UNL1111111111 -0.0938 35 C -0.7077 -3.1362 -0.9005 C.ar 1 UNL1111111111 -0.1950 36 C -0.6394 -4.3209 -0.1766 C.ar 1 UNL1111111111 -0.0991 37 C -1.7988 -4.9110 0.3313 C.ar 1 UNL1111111111 -0.2761 38 C -3.0234 -4.2920 0.1135 C.ar 1 UNL1111111111 0.1916 39 O -4.2344 -4.7399 0.5412 O.3 1 UNL1111111111 -0.3280 40 C -4.2583 -5.9536 1.2783 C.3 1 UNL1111111111 -0.1919 41 H 5.8108 -2.1908 0.8773 H 1 UNL1111111111 0.1261 42 H 7.5373 -2.1024 1.3026 H 1 UNL1111111111 0.1449 43 H 7.1163 -3.4885 -0.7781 H 1 UNL1111111111 0.1370 44 H 6.4188 -2.0856 -1.5868 H 1 UNL1111111111 0.1361 45 H 9.3123 -2.7090 -1.0169 H 1 UNL1111111111 0.1346 46 H 8.5986 -1.8131 -2.3572 H 1 UNL1111111111 0.1325 47 H 9.4183 -0.8151 0.4116 H 1 UNL1111111111 0.1508 48 H 9.7268 -0.0842 -1.1670 H 1 UNL1111111111 0.1347 49 H 8.0377 1.2692 0.0431 H 1 UNL1111111111 0.1361 50 H 7.2678 0.4967 -1.3787 H 1 UNL1111111111 0.1135 51 H 5.5909 1.4144 0.3255 H 1 UNL1111111111 0.1432 52 H 5.1338 -0.0898 -1.6741 H 1 UNL1111111111 0.1430 53 H 4.3553 -1.2666 -0.6168 H 1 UNL1111111111 0.1458 54 H 5.0787 -0.7583 2.3533 H 1 UNL1111111111 0.1481 55 H 4.8628 0.9840 2.4413 H 1 UNL1111111111 0.1545 56 H 3.4723 1.6193 -1.2578 H 1 UNL1111111111 0.1385 57 H 2.5451 0.1019 -1.4593 H 1 UNL1111111111 0.1286 58 H 2.9409 -1.1260 1.2955 H 1 UNL1111111111 0.1129 59 H 2.6204 0.1407 2.5192 H 1 UNL1111111111 0.1452 60 H 0.7250 -1.0067 0.8822 H 1 UNL1111111111 0.1588 61 H -1.6881 -0.6157 0.7965 H 1 UNL1111111111 0.2070 62 H 2.1662 3.8587 0.9593 H 1 UNL1111111111 0.1742 63 H 2.1573 3.6334 -0.8210 H 1 UNL1111111111 0.1523 64 H -0.2949 6.5240 -0.5203 H 1 UNL1111111111 0.1734 65 H 1.3709 6.4797 0.1336 H 1 UNL1111111111 0.1437 66 H 1.0483 5.9366 -1.5482 H 1 UNL1111111111 0.1320 67 H -3.0708 2.8618 0.2000 H 1 UNL1111111111 0.3651 68 H -7.3107 0.7657 -0.4876 H 1 UNL1111111111 0.1881 69 H -5.1829 -3.1354 -0.8721 H 1 UNL1111111111 0.3411 70 H -1.9876 -1.5788 -1.6905 H 1 UNL1111111111 0.1902 71 H 0.1980 -2.6856 -1.3003 H 1 UNL1111111111 0.1563 72 H 0.3228 -4.7993 -0.0032 H 1 UNL1111111111 0.1447 73 H -1.7301 -5.8369 0.8916 H 1 UNL1111111111 0.1592 74 H -3.8808 -6.7862 0.6775 H 1 UNL1111111111 0.1329 75 H -3.7033 -5.8497 2.2159 H 1 UNL1111111111 0.1358 76 H -5.3328 -6.0767 1.4783 H 1 UNL1111111111 0.1575 @BOND 1 1 2 1 2 1 6 1 3 1 41 1 4 1 42 1 5 2 3 1 6 2 43 1 7 2 44 1 8 3 4 1 9 3 45 1 10 3 46 1 11 4 5 1 12 4 47 1 13 4 48 1 14 5 6 1 15 5 49 1 16 5 50 1 17 6 7 1 18 7 8 1 19 7 10 1 20 7 51 1 21 8 9 1 22 8 52 1 23 8 53 1 24 9 12 1 25 9 56 1 26 9 57 1 27 10 11 1 28 10 54 1 29 10 55 1 30 11 12 1 31 11 58 1 32 11 59 1 33 12 13 1 34 13 14 ar 35 13 16 ar 36 14 15 ar 37 14 60 1 38 15 23 ar 39 15 61 1 40 16 17 1 41 16 22 ar 42 17 18 1 43 17 62 1 44 17 63 1 45 18 19 1 46 18 20 am 47 19 64 1 48 19 65 1 49 19 66 1 50 20 21 2 51 20 22 1 52 22 23 ar 53 23 24 1 54 24 25 1 55 24 67 1 56 25 26 ar 57 25 27 ar 58 26 31 ar 59 27 28 1 60 27 29 ar 61 29 30 ar 62 29 68 1 63 30 31 ar 64 31 32 1 65 32 33 1 66 32 69 1 67 33 34 ar 68 33 38 ar 69 34 35 ar 70 34 70 1 71 35 36 ar 72 35 71 1 73 36 37 ar 74 36 72 1 75 37 38 ar 76 37 73 1 77 38 39 1 78 39 40 1 79 40 74 1 80 40 75 1 81 40 76 1