@MOLECULE 3-(4-benzyl-1-piperidinyl)-1-(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5h)-yl)-1-propanone 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.1576 -1.9774 0.4768 C.ar 1 UNL1111111111 0.2681 2 C -4.8761 -0.6702 0.9071 C.ar 1 UNL1111111111 -0.2522 3 C -4.5588 0.2999 -0.0334 C.ar 1 UNL1111111111 0.0476 4 C -4.4999 -0.0430 -1.3908 C.ar 1 UNL1111111111 -0.1960 5 C -4.7684 -1.3457 -1.8020 C.ar 1 UNL1111111111 -0.0536 6 C -5.1106 -2.3262 -0.8727 C.ar 1 UNL1111111111 -0.3138 7 C -4.2805 1.7041 0.4554 C.3 1 UNL1111111111 -0.0752 8 N -2.8726 2.0893 0.2806 N.am 1 UNL1111111111 -0.5038 9 C -2.5191 2.7200 -0.9903 C.3 1 UNL1111111111 -0.0646 10 C -2.4617 1.7408 -2.1674 C.3 1 UNL1111111111 -0.3608 11 S -4.1291 1.1481 -2.6438 S.3 1 UNL1111111111 0.0043 12 C -1.9411 1.4120 1.0697 C.2 1 UNL1111111111 0.5816 13 C -0.4759 1.5847 0.7658 C.3 1 UNL1111111111 -0.3691 14 O -2.3387 0.7629 2.0163 O.2 1 UNL1111111111 -0.5270 15 C 0.3508 0.7326 1.7517 C.3 1 UNL1111111111 -0.0918 16 N 1.7851 0.9521 1.4472 N.3 1 UNL1111111111 -0.4343 17 C 2.6210 0.7612 2.6584 C.3 1 UNL1111111111 -0.1039 18 C 4.0820 1.1263 2.3358 C.3 1 UNL1111111111 -0.2932 19 C 4.6101 0.2434 1.1933 C.3 1 UNL1111111111 -0.0826 20 C 3.6891 0.4140 -0.0243 C.3 1 UNL1111111111 -0.2956 21 C 2.2414 0.0566 0.3544 C.3 1 UNL1111111111 -0.1011 22 C 6.0590 0.6421 0.8486 C.3 1 UNL1111111111 -0.3143 23 C 6.8633 0.2038 -1.4893 C.ar 1 UNL1111111111 -0.1840 24 C 7.3939 -0.6465 -2.4572 C.ar 1 UNL1111111111 -0.1336 25 C 7.6968 -1.9685 -2.1376 C.ar 1 UNL1111111111 -0.1704 26 C 7.4703 -2.4387 -0.8449 C.ar 1 UNL1111111111 -0.1321 27 C 6.9427 -1.5908 0.1251 C.ar 1 UNL1111111111 -0.1822 28 C 6.6343 -0.2658 -0.1942 C.ar 1 UNL1111111111 0.0293 29 O -5.4672 -2.8122 1.5007 O.3 1 UNL1111111111 -0.2957 30 C -5.7233 -4.1719 1.1744 C.3 1 UNL1111111111 -0.2057 31 H -4.8788 -0.4438 1.9747 H 1 UNL1111111111 0.1934 32 H -4.7143 -1.6220 -2.8587 H 1 UNL1111111111 0.1617 33 H -5.3257 -3.3346 -1.2071 H 1 UNL1111111111 0.1671 34 H -4.5189 1.7903 1.5484 H 1 UNL1111111111 0.1735 35 H -4.9425 2.4378 -0.0613 H 1 UNL1111111111 0.1598 36 H -1.5358 3.2370 -0.8803 H 1 UNL1111111111 0.1464 37 H -3.2530 3.5391 -1.1926 H 1 UNL1111111111 0.1558 38 H -1.8078 0.8800 -1.9400 H 1 UNL1111111111 0.1668 39 H -2.0371 2.2336 -3.0621 H 1 UNL1111111111 0.1672 40 H -0.2450 1.2950 -0.2768 H 1 UNL1111111111 0.1638 41 H -0.1692 2.6480 0.8611 H 1 UNL1111111111 0.1830 42 H 0.1226 1.0617 2.7906 H 1 UNL1111111111 0.1530 43 H 0.0400 -0.3325 1.6940 H 1 UNL1111111111 0.1355 44 H 2.2393 1.4405 3.4517 H 1 UNL1111111111 0.1353 45 H 2.5663 -0.2743 3.0561 H 1 UNL1111111111 0.1137 46 H 4.1363 2.1931 2.0443 H 1 UNL1111111111 0.1519 47 H 4.7045 1.0134 3.2395 H 1 UNL1111111111 0.1326 48 H 4.5963 -0.8243 1.5165 H 1 UNL1111111111 0.1354 49 H 3.7298 1.4585 -0.3870 H 1 UNL1111111111 0.1510 50 H 4.0305 -0.2206 -0.8614 H 1 UNL1111111111 0.1409 51 H 2.1722 -1.0188 0.6251 H 1 UNL1111111111 0.1150 52 H 1.5801 0.2142 -0.5244 H 1 UNL1111111111 0.1323 53 H 6.0859 1.6998 0.5186 H 1 UNL1111111111 0.1518 54 H 6.6829 0.6086 1.7656 H 1 UNL1111111111 0.1532 55 H 6.6268 1.2341 -1.7449 H 1 UNL1111111111 0.1513 56 H 7.5728 -0.2765 -3.4646 H 1 UNL1111111111 0.1459 57 H 8.1096 -2.6314 -2.8937 H 1 UNL1111111111 0.1476 58 H 7.7073 -3.4703 -0.5931 H 1 UNL1111111111 0.1464 59 H 6.7687 -1.9601 1.1334 H 1 UNL1111111111 0.1521 60 H -5.9142 -4.6133 2.1625 H 1 UNL1111111111 0.1534 61 H -6.6086 -4.2608 0.5378 H 1 UNL1111111111 0.1335 62 H -4.8469 -4.6365 0.7123 H 1 UNL1111111111 0.1359 @BOND 1 1 2 ar 2 1 6 ar 3 1 29 1 4 2 3 ar 5 2 31 1 6 3 4 ar 7 3 7 1 8 4 5 ar 9 4 11 1 10 5 6 ar 11 5 32 1 12 6 33 1 13 7 8 1 14 7 34 1 15 7 35 1 16 8 9 1 17 8 12 am 18 9 10 1 19 9 36 1 20 9 37 1 21 10 11 1 22 10 38 1 23 10 39 1 24 12 13 1 25 12 14 2 26 13 15 1 27 13 40 1 28 13 41 1 29 15 16 1 30 15 42 1 31 15 43 1 32 16 17 1 33 16 21 1 34 17 18 1 35 17 44 1 36 17 45 1 37 18 19 1 38 18 46 1 39 18 47 1 40 19 20 1 41 19 22 1 42 19 48 1 43 20 21 1 44 20 49 1 45 20 50 1 46 21 51 1 47 21 52 1 48 22 28 1 49 22 53 1 50 22 54 1 51 23 24 ar 52 23 28 ar 53 23 55 1 54 24 25 ar 55 24 56 1 56 25 26 ar 57 25 57 1 58 26 27 ar 59 26 58 1 60 27 28 ar 61 27 59 1 62 29 30 1 63 30 60 1 64 30 61 1 65 30 62 1