@MOLECULE 3-cycloheptyl-9-(dimethylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one 46 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.6354 -2.5234 -0.0441 S.2 1 UNL1 0.3629 2 O -1.5779 -2.3088 -0.0641 O.2 1 UNL1 -0.4834 3 N -1.5864 -0.0356 -0.0185 N.ar 1 UNL1 -0.4784 4 N 0.4363 1.2274 0.0170 N.ar 1 UNL1 -0.4860 5 N 3.5032 2.3574 0.0568 N.pl3 1 UNL1 -0.4027 6 N 4.2663 -1.8398 -0.0253 N.ar 1 UNL1 -0.3766 7 C -3.0730 -0.0162 -0.0387 C.3 1 UNL1 0.0872 8 C -3.5978 0.7022 1.2201 C.3 1 UNL1 -0.3020 9 C -3.5440 0.6712 -1.3368 C.3 1 UNL1 -0.3052 10 C -4.9075 0.0887 1.7322 C.3 1 UNL1 -0.2603 11 C -5.0070 0.3442 -1.6511 C.3 1 UNL1 -0.2583 12 C -5.9274 -0.2650 0.6403 C.3 1 UNL1 -0.2665 13 C -5.9699 0.7359 -0.5218 C.3 1 UNL1 -0.2637 14 C -0.9074 -1.3032 -0.0382 C.ar 1 UNL1 0.6150 15 C -0.8823 1.1482 0.0078 C.ar 1 UNL1 0.2792 16 C 0.5236 -1.1833 -0.0251 C.ar 1 UNL1 -0.4450 17 C 1.1574 0.0573 0.0011 C.ar 1 UNL1 0.2679 18 C 2.6009 -0.0384 0.0065 C.ar 1 UNL1 -0.2371 19 C 2.9992 -1.4057 -0.0185 C.ar 1 UNL1 0.0793 20 C 3.6283 0.9267 0.0272 C.ar 1 UNL1 0.2903 21 C 4.9532 0.4710 0.0197 C.ar 1 UNL1 -0.3003 22 C 5.2297 -0.9031 -0.0065 C.ar 1 UNL1 0.0954 23 C 2.8785 2.8873 -1.1738 C.3 1 UNL1 -0.2666 24 C 2.8311 2.8394 1.2818 C.3 1 UNL1 -0.2677 25 H -3.4238 -1.0887 -0.0348 H 1 UNL1 0.1905 26 H -3.7454 1.7786 1.0144 H 1 UNL1 0.1416 27 H -2.8437 0.6515 2.0321 H 1 UNL1 0.1499 28 H -2.9095 0.3370 -2.1838 H 1 UNL1 0.1527 29 H -3.4090 1.7660 -1.2718 H 1 UNL1 0.1388 30 H -4.6800 -0.8266 2.3161 H 1 UNL1 0.1428 31 H -5.3689 0.7925 2.4530 H 1 UNL1 0.1356 32 H -5.3001 0.8697 -2.5818 H 1 UNL1 0.1355 33 H -5.1118 -0.7351 -1.8791 H 1 UNL1 0.1457 34 H -6.9322 -0.3370 1.1013 H 1 UNL1 0.1312 35 H -5.7186 -1.2809 0.2498 H 1 UNL1 0.1437 36 H -7.0000 0.7827 -0.9257 H 1 UNL1 0.1296 37 H -5.7501 1.7572 -0.1624 H 1 UNL1 0.1399 38 H -1.4524 2.0935 0.0231 H 1 UNL1 0.1904 39 H 5.7652 1.1981 0.0347 H 1 UNL1 0.1912 40 H 6.2602 -1.2805 -0.0133 H 1 UNL1 0.1746 41 H 1.8043 2.6622 -1.2733 H 1 UNL1 0.1519 42 H 3.4034 2.4843 -2.0546 H 1 UNL1 0.1430 43 H 3.0054 3.9829 -1.1764 H 1 UNL1 0.1489 44 H 3.2477 2.3278 2.1635 H 1 UNL1 0.1427 45 H 1.7374 2.7038 1.2858 H 1 UNL1 0.1539 46 H 3.0490 3.9163 1.3812 H 1 UNL1 0.1485 @BOND 1 32 11 1 2 28 9 1 3 42 23 1 4 33 11 1 5 11 9 1 6 11 13 1 7 9 29 1 8 9 7 1 9 41 23 1 10 43 23 1 11 23 5 1 12 36 13 1 13 13 37 1 14 13 12 1 15 2 14 2 16 1 16 ar 17 1 19 ar 18 7 25 1 19 7 3 1 20 7 8 1 21 14 16 ar 22 14 3 ar 23 6 19 ar 24 6 22 ar 25 16 17 ar 26 19 18 ar 27 3 15 ar 28 40 22 1 29 22 21 ar 30 17 18 ar 31 17 4 ar 32 18 20 ar 33 15 4 ar 34 15 38 1 35 21 20 ar 36 21 39 1 37 20 5 1 38 5 24 1 39 35 12 1 40 12 34 1 41 12 10 1 42 26 8 1 43 8 10 1 44 8 27 1 45 24 45 1 46 24 46 1 47 24 44 1 48 10 30 1 49 10 31 1