@MOLECULE (6r,7r)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.5205 0.2178 1.6784 S.3 1 UNL1111111111 0.0266 2 O -0.4071 -0.3327 -1.5502 O.3 1 UNL1111111111 -0.5419 3 O 5.7126 0.0820 -0.2366 O.3 1 UNL1111111111 -0.3191 4 N -2.8686 -0.6765 -0.1945 N.ar 1 UNL1111111111 -0.1839 5 C -0.4726 -1.4210 -0.6459 C.3 1 UNL1111111111 0.1499 6 C 0.2828 -1.0893 0.6532 C.3 1 UNL1111111111 -0.2002 7 C -1.9208 -1.6734 -0.4168 C.ar 1 UNL1111111111 0.0041 8 C -2.6339 0.7154 -0.0870 C.ar 1 UNL1111111111 0.1876 9 C 1.7030 -0.7177 0.3858 C.ar 1 UNL1111111111 -0.0829 10 C -1.5504 1.2180 0.6466 C.ar 1 UNL1111111111 -0.1274 11 C -2.5835 -2.9005 -0.4769 C.ar 1 UNL1111111111 -0.2241 12 C -4.1293 -1.2710 -0.1324 C.ar 1 UNL1111111111 -0.0904 13 C -3.9702 -2.6449 -0.2954 C.ar 1 UNL1111111111 -0.2096 14 C -3.5389 1.5950 -0.7031 C.ar 1 UNL1111111111 -0.2067 15 C 2.7222 -1.5203 0.9208 C.ar 1 UNL1111111111 -0.0890 16 C 2.0457 0.4053 -0.3702 C.ar 1 UNL1111111111 -0.0752 17 C -1.3598 2.5983 0.7177 C.ar 1 UNL1111111111 -0.0991 18 C -3.3512 2.9678 -0.5969 C.ar 1 UNL1111111111 -0.1025 19 C -2.2590 3.4707 0.1095 C.ar 1 UNL1111111111 -0.1737 20 C 4.0542 -1.2207 0.6896 C.ar 1 UNL1111111111 -0.2558 21 C 3.3796 0.7220 -0.6222 C.ar 1 UNL1111111111 -0.3018 22 C 4.3742 -0.0964 -0.0885 C.ar 1 UNL1111111111 0.2513 23 C 6.1446 1.1947 -1.0076 C.3 1 UNL1111111111 -0.2008 24 H -0.0112 -2.3278 -1.1187 H 1 UNL1111111111 0.1428 25 H 0.2272 -1.9980 1.3177 H 1 UNL1111111111 0.1803 26 H -2.1347 -3.8559 -0.6392 H 1 UNL1111111111 0.1600 27 H -5.0208 -0.7023 0.0393 H 1 UNL1111111111 0.1662 28 H -4.7436 -3.3821 -0.2861 H 1 UNL1111111111 0.1604 29 H -4.3823 1.1965 -1.2665 H 1 UNL1111111111 0.1701 30 H 2.4699 -2.3872 1.5331 H 1 UNL1111111111 0.1531 31 H 1.2634 1.0653 -0.7586 H 1 UNL1111111111 0.1705 32 H 0.3766 -0.4175 -2.1342 H 1 UNL1111111111 0.3229 33 H -0.5097 3.0110 1.2671 H 1 UNL1111111111 0.1693 34 H -4.0562 3.6499 -1.0715 H 1 UNL1111111111 0.1566 35 H -2.1065 4.5454 0.1845 H 1 UNL1111111111 0.1563 36 H 4.8527 -1.8331 1.1046 H 1 UNL1111111111 0.1704 37 H 3.6247 1.5974 -1.2113 H 1 UNL1111111111 0.1622 38 H 5.8464 2.1356 -0.5342 H 1 UNL1111111111 0.1354 39 H 5.7766 1.1304 -2.0365 H 1 UNL1111111111 0.1344 40 H 7.2364 1.0712 -0.9834 H 1 UNL1111111111 0.1533 @BOND 1 1 6 1 2 1 10 1 3 2 5 1 4 2 32 1 5 3 22 1 6 3 23 1 7 4 7 ar 8 4 8 1 9 4 12 ar 10 5 6 1 11 5 7 1 12 5 24 1 13 6 9 1 14 6 25 1 15 7 11 ar 16 8 10 ar 17 8 14 ar 18 9 15 ar 19 9 16 ar 20 10 17 ar 21 11 13 ar 22 11 26 1 23 12 13 ar 24 12 27 1 25 13 28 1 26 14 18 ar 27 14 29 1 28 15 20 ar 29 15 30 1 30 16 21 ar 31 16 31 1 32 17 19 ar 33 17 33 1 34 18 19 ar 35 18 34 1 36 19 35 1 37 20 22 ar 38 20 36 1 39 21 22 ar 40 21 37 1 41 23 38 1 42 23 39 1 43 23 40 1