@MOLECULE (2r,3r)-8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid 56 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3819 -2.7290 -1.1584 O.3 1 UNL1 -0.5645 2 C 3.1749 -2.6110 -0.5466 C.2 1 UNL1 0.6041 3 O 2.6803 -3.5151 0.0605 O.2 1 UNL1 -0.4471 4 C 2.6589 -1.1913 -0.7779 C.3 1 UNL1 0.0041 5 C 3.5455 -0.1796 -0.0371 C.3 1 UNL1 -0.1877 6 C 3.6859 1.1304 -0.7365 C.ar 1 UNL1 -0.0263 7 C 4.9349 1.7584 -0.7445 C.ar 1 UNL1 -0.1462 8 C 5.0959 2.9884 -1.3779 C.ar 1 UNL1 -0.1475 9 C 4.0126 3.5977 -2.0080 C.ar 1 UNL1 -0.1433 10 C 2.7666 2.9733 -2.0024 C.ar 1 UNL1 -0.1382 11 C 2.6014 1.7446 -1.3684 C.ar 1 UNL1 -0.1410 12 S 2.6851 0.0906 1.5865 S.3 1 UNL1 0.0725 13 N 1.2889 -1.0880 -0.2601 N.ar 1 UNL1 -0.4455 14 C 0.2089 -1.6095 -1.0339 C.ar 1 UNL1 0.6084 15 O 0.4790 -2.0328 -2.1358 O.2 1 UNL1 -0.5075 16 C 1.1222 -0.5423 0.9988 C.ar 1 UNL1 0.1540 17 C -0.1048 -0.4885 1.6134 C.ar 1 UNL1 -0.1623 18 C -0.3474 0.0785 2.9519 C.3 1 UNL1 -0.1338 19 C 0.2206 1.4127 3.4064 C.3 1 UNL1 -0.3153 20 C 0.6654 0.1416 4.0814 C.3 1 UNL1 -0.3156 21 C -1.2285 -1.0144 0.8714 C.ar 1 UNL1 0.1680 22 C -1.0699 -1.5317 -0.3788 C.ar 1 UNL1 -0.3723 23 C -2.6272 -0.9894 1.4272 C.3 1 UNL1 -0.3138 24 C -3.3780 0.1651 0.8254 C.ar 1 UNL1 0.0160 25 C -3.0849 1.4389 1.2526 C.ar 1 UNL1 -0.1740 26 C -3.7679 2.5585 0.7236 C.ar 1 UNL1 -0.1344 27 C -4.7380 2.3855 -0.2281 C.ar 1 UNL1 -0.1689 28 C -5.0570 1.0816 -0.6965 C.ar 1 UNL1 -0.0014 29 C -4.3729 -0.0421 -0.1777 C.ar 1 UNL1 -0.0170 30 C -6.0598 0.9000 -1.6898 C.ar 1 UNL1 -0.1583 31 C -6.3608 -0.3530 -2.1545 C.ar 1 UNL1 -0.1445 32 C -5.6697 -1.4811 -1.6480 C.ar 1 UNL1 -0.1467 33 C -4.7048 -1.3293 -0.6866 C.ar 1 UNL1 -0.1518 34 H 2.6487 -0.9979 -1.8965 H 1 UNL1 0.2255 35 H 4.5526 -0.6229 0.1754 H 1 UNL1 0.1953 36 H 5.7894 1.2901 -0.2590 H 1 UNL1 0.1514 37 H 1.6177 1.2733 -1.3706 H 1 UNL1 0.1664 38 H 6.0702 3.4731 -1.3817 H 1 UNL1 0.1488 39 H 4.1396 4.5578 -2.5039 H 1 UNL1 0.1493 40 H 1.9181 3.4464 -2.4949 H 1 UNL1 0.1546 41 H -1.9103 -1.9101 -0.9630 H 1 UNL1 0.1977 42 H -1.3785 -0.1279 3.3038 H 1 UNL1 0.1625 43 H 0.8965 1.9721 2.7672 H 1 UNL1 0.1680 44 H -0.4225 2.1070 3.9403 H 1 UNL1 0.1531 45 H 0.3244 -0.0724 5.0926 H 1 UNL1 0.1543 46 H 1.6728 -0.2410 3.9750 H 1 UNL1 0.1661 47 H -3.1319 -1.9623 1.2325 H 1 UNL1 0.1738 48 H -2.6424 -0.9174 2.5385 H 1 UNL1 0.1685 49 H -2.3104 1.6098 2.0013 H 1 UNL1 0.1627 50 H -3.5082 3.5519 1.0851 H 1 UNL1 0.1514 51 H -5.2745 3.2366 -0.6424 H 1 UNL1 0.1532 52 H -6.5793 1.7770 -2.0723 H 1 UNL1 0.1530 53 H -4.1769 -2.2040 -0.3058 H 1 UNL1 0.1559 54 H -7.1256 -0.4999 -2.9147 H 1 UNL1 0.1516 55 H -5.9175 -2.4671 -2.0380 H 1 UNL1 0.1529 56 H 4.7677 -3.6388 -1.1039 H 1 UNL1 0.3618 @BOND 1 54 31 1 2 39 9 1 3 40 10 1 4 31 30 ar 5 31 32 ar 6 15 14 2 7 52 30 1 8 55 32 1 9 9 10 ar 10 9 8 ar 11 10 11 ar 12 34 4 1 13 30 28 ar 14 32 33 ar 15 38 8 1 16 8 7 ar 17 37 11 1 18 11 6 ar 19 1 56 1 20 1 2 1 21 14 22 ar 22 14 13 ar 23 41 22 1 24 4 2 1 25 4 13 1 26 4 5 1 27 7 6 ar 28 7 36 1 29 6 5 1 30 28 27 ar 31 28 29 ar 32 33 53 1 33 33 29 ar 34 51 27 1 35 2 3 2 36 22 21 ar 37 13 16 ar 38 27 26 ar 39 29 24 ar 40 5 35 1 41 5 12 1 42 26 50 1 43 26 25 ar 44 24 25 ar 45 24 23 1 46 21 23 1 47 21 17 ar 48 16 12 1 49 16 17 ar 50 47 23 1 51 25 49 1 52 23 48 1 53 17 18 1 54 43 19 1 55 18 42 1 56 18 19 1 57 18 20 1 58 19 44 1 59 19 20 1 60 46 20 1 61 20 45 1