@MOLECULE 1-(4-{[2-(1h-indazol-4-yl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-6-methyl-5-heptene-1,4-dione 76 81 0 0 0 SMALL GASTEIGER @ATOM 1 C 9.1031 2.2073 -2.8784 C.3 1 UNL1111111111 -0.4838 2 C 9.8125 1.5118 -1.7747 C.2 1 UNL1111111111 0.2237 3 C 11.2482 1.8778 -1.5986 C.3 1 UNL1111111111 -0.4841 4 C 9.2236 0.6040 -0.9718 C.2 1 UNL1111111111 -0.4369 5 C 7.8215 0.2071 -1.1038 C.2 1 UNL1111111111 0.5037 6 O 7.0728 0.6810 -1.9317 O.2 1 UNL1111111111 -0.5054 7 C 7.3286 -0.8417 -0.1354 C.3 1 UNL1111111111 -0.3581 8 C 5.8917 -1.2455 -0.4601 C.3 1 UNL1111111111 -0.3384 9 C 5.3563 -2.1605 0.6127 C.2 1 UNL1111111111 0.5714 10 O 6.0213 -2.4920 1.5747 O.2 1 UNL1111111111 -0.5421 11 N 4.0866 -2.7216 0.4318 N.am 1 UNL1111111111 -0.4855 12 C 3.4929 -3.4028 1.5950 C.3 1 UNL1111111111 -0.0831 13 C 2.7478 -2.3893 2.4980 C.3 1 UNL1111111111 -0.1590 14 N 1.7058 -1.6984 1.6971 N.3 1 UNL1111111111 -0.4021 15 C 2.2969 -1.0007 0.5279 C.3 1 UNL1111111111 -0.1562 16 C 3.0512 -2.0310 -0.3480 C.3 1 UNL1111111111 -0.0898 17 C 0.9621 -0.7336 2.5538 C.3 1 UNL1111111111 -0.1209 18 C -0.2900 -0.3260 1.8625 C.ar 1 UNL1111111111 -0.0654 19 C -1.2174 -1.1438 1.3087 C.ar 1 UNL1111111111 -0.1951 20 C -2.3425 -0.4196 0.7518 C.ar 1 UNL1111111111 0.2543 21 N -3.3884 -1.0026 0.1297 N.ar 1 UNL1111111111 -0.4636 22 C -4.3450 -0.1808 -0.3597 C.ar 1 UNL1111111111 0.3908 23 N -4.3154 1.1769 -0.2421 N.ar 1 UNL1111111111 -0.5497 24 C -3.2770 1.7784 0.3921 C.ar 1 UNL1111111111 0.4343 25 C -2.2346 0.9862 0.9188 C.ar 1 UNL1111111111 -0.3971 26 S -0.7360 1.3828 1.7073 S.2 1 UNL1111111111 0.2021 27 N -3.2324 3.1770 0.3722 N.pl3 1 UNL1111111111 -0.4008 28 C -4.2206 3.8468 -0.5090 C.3 1 UNL1111111111 -0.1253 29 C -3.7629 5.3048 -0.6913 C.3 1 UNL1111111111 -0.0505 30 O -3.6487 5.9523 0.5633 O.3 1 UNL1111111111 -0.3846 31 C -2.7127 5.3145 1.4105 C.3 1 UNL1111111111 -0.0410 32 C -3.1532 3.8623 1.6822 C.3 1 UNL1111111111 -0.1341 33 C -5.5143 -0.7666 -1.0436 C.ar 1 UNL1111111111 0.0183 34 C -6.3561 0.0280 -1.8083 C.ar 1 UNL1111111111 -0.1384 35 C -7.4944 -0.5060 -2.4517 C.ar 1 UNL1111111111 -0.1147 36 C -7.8264 -1.8421 -2.3523 C.ar 1 UNL1111111111 -0.1927 37 C -6.9781 -2.6522 -1.5835 C.ar 1 UNL1111111111 0.0809 38 N -7.0215 -4.0094 -1.2848 N.ar 1 UNL1111111111 -0.2696 39 N -5.9694 -4.3656 -0.4934 N.ar 1 UNL1111111111 -0.2026 40 C -5.2309 -3.2711 -0.2621 C.ar 1 UNL1111111111 -0.0367 41 C -5.8148 -2.1315 -0.9262 C.ar 1 UNL1111111111 -0.0958 42 H 9.7335 2.8968 -3.4491 H 1 UNL1111111111 0.1512 43 H 8.6610 1.4843 -3.5889 H 1 UNL1111111111 0.1874 44 H 8.2346 2.7755 -2.4969 H 1 UNL1111111111 0.1865 45 H 11.3676 2.9615 -1.4493 H 1 UNL1111111111 0.1669 46 H 11.7207 1.3800 -0.7407 H 1 UNL1111111111 0.1617 47 H 11.8357 1.6089 -2.4902 H 1 UNL1111111111 0.1683 48 H 9.7798 0.1183 -0.1734 H 1 UNL1111111111 0.1710 49 H 7.9928 -1.7316 -0.1478 H 1 UNL1111111111 0.1795 50 H 7.3996 -0.4593 0.9071 H 1 UNL1111111111 0.1835 51 H 5.2594 -0.3360 -0.5577 H 1 UNL1111111111 0.1786 52 H 5.8505 -1.7394 -1.4550 H 1 UNL1111111111 0.1814 53 H 2.7869 -4.1786 1.2211 H 1 UNL1111111111 0.1565 54 H 4.2858 -3.9260 2.1762 H 1 UNL1111111111 0.1667 55 H 3.4824 -1.5432 -1.2450 H 1 UNL1111111111 0.1464 56 H 2.3318 -2.8007 -0.7216 H 1 UNL1111111111 0.1673 57 H 2.2445 -2.9378 3.3231 H 1 UNL1111111111 0.1469 58 H 3.4789 -1.6919 2.9589 H 1 UNL1111111111 0.1294 59 H 1.4638 -0.5579 -0.0642 H 1 UNL1111111111 0.1616 60 H 2.9753 -0.1711 0.8145 H 1 UNL1111111111 0.1217 61 H 0.6858 -1.2558 3.5074 H 1 UNL1111111111 0.1645 62 H 1.5895 0.1366 2.8559 H 1 UNL1111111111 0.1353 63 H -1.1569 -2.2255 1.2539 H 1 UNL1111111111 0.2052 64 H -4.2532 3.3252 -1.4922 H 1 UNL1111111111 0.1668 65 H -5.2485 3.8015 -0.0870 H 1 UNL1111111111 0.1515 66 H -4.1419 3.8548 2.1962 H 1 UNL1111111111 0.1472 67 H -2.4352 3.3637 2.3610 H 1 UNL1111111111 0.1555 68 H -2.8002 5.3665 -1.2291 H 1 UNL1111111111 0.1315 69 H -4.5249 5.9103 -1.2131 H 1 UNL1111111111 0.1413 70 H -1.7063 5.3568 0.9578 H 1 UNL1111111111 0.1349 71 H -2.7423 5.9301 2.3265 H 1 UNL1111111111 0.1408 72 H -6.1457 1.0958 -1.9136 H 1 UNL1111111111 0.1798 73 H -8.1213 0.1672 -3.0370 H 1 UNL1111111111 0.1541 74 H -8.7011 -2.2539 -2.8429 H 1 UNL1111111111 0.1577 75 H -7.6832 -4.7000 -1.5591 H 1 UNL1111111111 0.3311 76 H -4.3287 -3.2827 0.3328 H 1 UNL1111111111 0.2138 @BOND 1 1 2 1 2 1 42 1 3 1 43 1 4 1 44 1 5 2 3 1 6 2 4 2 7 3 45 1 8 3 46 1 9 3 47 1 10 4 5 1 11 4 48 1 12 5 6 2 13 5 7 1 14 7 8 1 15 7 49 1 16 7 50 1 17 8 9 1 18 8 51 1 19 8 52 1 20 9 10 2 21 9 11 am 22 11 12 1 23 11 16 1 24 12 13 1 25 12 53 1 26 12 54 1 27 13 14 1 28 13 57 1 29 13 58 1 30 14 15 1 31 14 17 1 32 15 16 1 33 15 59 1 34 15 60 1 35 16 55 1 36 16 56 1 37 17 18 1 38 17 61 1 39 17 62 1 40 18 19 ar 41 18 26 ar 42 19 20 ar 43 19 63 1 44 20 21 ar 45 20 25 ar 46 21 22 ar 47 22 23 ar 48 22 33 1 49 23 24 ar 50 24 25 ar 51 24 27 1 52 25 26 ar 53 27 28 1 54 27 32 1 55 28 29 1 56 28 64 1 57 28 65 1 58 29 30 1 59 29 68 1 60 29 69 1 61 30 31 1 62 31 32 1 63 31 70 1 64 31 71 1 65 32 66 1 66 32 67 1 67 33 34 ar 68 33 41 ar 69 34 35 ar 70 34 72 1 71 35 36 ar 72 35 73 1 73 36 37 ar 74 36 74 1 75 37 38 ar 76 37 41 ar 77 38 39 ar 78 38 75 1 79 39 40 ar 80 40 41 ar 81 40 76 1