@MOLECULE 8-chloro-2-{[(3s)-3-hydroxy-1-pyrrolidinyl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(1h)-one 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.6711 1.4322 0.2113 C.3 1 UNL1 0.1343 2 N 3.8667 -0.1877 -0.1626 N.3 1 UNL1 -0.4192 3 O 5.3844 2.6388 -0.4663 O.3 1 UNL1 -0.5677 4 S -2.3514 -2.5982 0.2011 S.2 1 UNL1 0.3010 5 CL -4.4342 3.2402 -0.0520 Cl 1 UNL1 -0.0793 6 C 4.8550 1.3128 1.5117 C.3 1 UNL1 -0.3669 7 N 0.2937 0.2543 -0.3969 N.ar 1 UNL1 -0.4886 8 O 0.7087 -3.7892 -0.0530 O.2 1 UNL1 -0.4747 9 C 3.9402 0.0876 1.2997 C.3 1 UNL1 -0.1094 10 N 1.5946 -1.7420 -0.3902 N.ar 1 UNL1 -0.5345 11 C 2.6907 0.4623 -0.7840 C.3 1 UNL1 -0.1458 12 C 1.4585 -0.3739 -0.4979 C.ar 1 UNL1 0.3984 13 C -0.8181 -0.5192 -0.1826 C.ar 1 UNL1 0.2543 14 C -2.1620 0.0140 -0.0576 C.ar 1 UNL1 -0.0708 15 C -2.5568 1.3517 -0.1262 C.ar 1 UNL1 -0.0933 16 C -3.9064 1.6154 0.0228 C.ar 1 UNL1 -0.0151 17 C -4.8649 0.6183 0.2323 C.ar 1 UNL1 -0.1329 18 C -4.4649 -0.7106 0.2988 C.ar 1 UNL1 -0.1424 19 C -3.1109 -1.0096 0.1549 C.ar 1 UNL1 -0.1026 20 C -0.7727 -1.9040 -0.0615 C.ar 1 UNL1 -0.4278 21 C 0.4744 -2.6081 -0.1504 C.ar 1 UNL1 0.6094 22 C 5.1417 0.3188 -0.7272 C.3 1 UNL1 -0.1356 23 H 6.7641 1.3767 0.3721 H 1 UNL1 0.1175 24 H 5.6310 3.4153 0.0693 H 1 UNL1 0.3189 25 H 5.4966 1.1893 2.3957 H 1 UNL1 0.1498 26 H 4.2596 2.2265 1.6821 H 1 UNL1 0.1606 27 H 2.9368 0.2333 1.7411 H 1 UNL1 0.1460 28 H 4.3738 -0.8197 1.7746 H 1 UNL1 0.1511 29 H 2.5316 -2.1565 -0.4410 H 1 UNL1 0.3519 30 H 2.5280 1.5164 -0.4485 H 1 UNL1 0.1815 31 H 2.8270 0.5175 -1.8927 H 1 UNL1 0.1776 32 H -1.8113 2.1346 -0.2918 H 1 UNL1 0.1958 33 H -5.9184 0.8801 0.3418 H 1 UNL1 0.1718 34 H -5.2015 -1.4976 0.4601 H 1 UNL1 0.1694 35 H 5.0319 0.6954 -1.7635 H 1 UNL1 0.1624 36 H 5.8475 -0.5384 -0.7611 H 1 UNL1 0.1552 @BOND 1 31 11 1 2 35 22 1 3 11 12 1 4 11 30 1 5 11 2 1 6 36 22 1 7 22 2 1 8 22 1 1 9 12 7 ar 10 12 10 ar 11 3 24 1 12 3 1 1 13 29 10 1 14 7 13 ar 15 10 21 ar 16 32 15 1 17 13 20 ar 18 13 14 ar 19 2 9 1 20 21 20 ar 21 21 8 2 22 15 14 ar 23 15 16 ar 24 20 4 ar 25 14 19 ar 26 5 16 1 27 16 17 ar 28 19 4 ar 29 19 18 ar 30 1 23 1 31 1 6 1 32 17 18 ar 33 17 33 1 34 18 34 1 35 9 6 1 36 9 27 1 37 9 28 1 38 6 26 1 39 6 25 1