@MOLECULE 4-{[(2r)-2-hydroxypropyl]amino}-2,2-dimethyl-7-pentyl-2,3-dihydro-5h-thiochromen-5-one 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0005 -2.7426 0.1439 S.3 1 UNL1111111111 -0.0480 2 O 0.7837 2.2714 -0.6938 O.2 1 UNL1111111111 -0.6204 3 O 4.6642 2.8181 -0.6737 O.3 1 UNL1111111111 -0.5308 4 N 2.6815 0.8628 0.1235 N.pl3 1 UNL1111111111 -0.4387 5 C 1.8485 -2.6953 0.0102 C.3 1 UNL1111111111 0.0850 6 C 2.3324 -1.4687 0.7938 C.3 1 UNL1111111111 -0.3667 7 C 1.8333 -0.1718 0.2104 C.2 1 UNL1111111111 0.3649 8 C 0.4952 -0.0138 -0.2055 C.2 1 UNL1111111111 -0.4434 9 C -0.4593 -1.0697 -0.2253 C.2 1 UNL1111111111 0.0885 10 C 2.2789 -2.6196 -1.4495 C.3 1 UNL1111111111 -0.4703 11 C 2.3745 -3.9730 0.6582 C.3 1 UNL1111111111 -0.4658 12 C -2.2527 0.4311 -0.8525 C.2 1 UNL1111111111 0.1480 13 C -1.7751 -0.8807 -0.5247 C.2 1 UNL1111111111 -0.3167 14 C 0.0158 1.3043 -0.6125 C.2 1 UNL1111111111 0.5359 15 C -3.7156 0.5996 -1.1329 C.3 1 UNL1111111111 -0.2981 16 C -1.3938 1.4794 -0.9068 C.2 1 UNL1111111111 -0.3636 17 C 4.0612 0.8520 0.6017 C.3 1 UNL1111111111 -0.1609 18 C -4.4922 0.6176 0.1932 C.3 1 UNL1111111111 -0.2582 19 C -5.9964 0.7635 -0.0614 C.3 1 UNL1111111111 -0.2728 20 C 4.5998 2.3075 0.6309 C.3 1 UNL1111111111 0.1690 21 C -6.7703 0.7768 1.2637 C.3 1 UNL1111111111 -0.2514 22 C 5.9662 2.3492 1.3049 C.3 1 UNL1111111111 -0.5115 23 C -8.2721 0.9214 1.0177 C.3 1 UNL1111111111 -0.4421 24 H 3.4404 -1.5105 0.8428 H 1 UNL1111111111 0.1616 25 H 2.0005 -1.5266 1.8587 H 1 UNL1111111111 0.1872 26 H 1.8883 -1.7244 -1.9577 H 1 UNL1111111111 0.1719 27 H 1.9293 -3.4856 -2.0286 H 1 UNL1111111111 0.1643 28 H 3.3707 -2.5927 -1.5457 H 1 UNL1111111111 0.1469 29 H 2.0102 -4.8759 0.1470 H 1 UNL1111111111 0.1645 30 H 2.0892 -4.0645 1.7146 H 1 UNL1111111111 0.1587 31 H 3.4706 -4.0153 0.6160 H 1 UNL1111111111 0.1499 32 H 2.3132 1.7800 -0.2939 H 1 UNL1111111111 0.4018 33 H -2.4962 -1.6948 -0.5391 H 1 UNL1111111111 0.1700 34 H -3.9090 1.5336 -1.6977 H 1 UNL1111111111 0.1520 35 H -4.0831 -0.2202 -1.7823 H 1 UNL1111111111 0.1508 36 H -1.7040 2.4873 -1.1668 H 1 UNL1111111111 0.1806 37 H -4.2877 -0.3088 0.7633 H 1 UNL1111111111 0.1424 38 H -4.1279 1.4480 0.8284 H 1 UNL1111111111 0.1453 39 H 4.1302 0.4149 1.6228 H 1 UNL1111111111 0.1499 40 H 4.6917 0.2296 -0.0739 H 1 UNL1111111111 0.1484 41 H -6.1993 1.6927 -0.6256 H 1 UNL1111111111 0.1367 42 H -6.3575 -0.0634 -0.7003 H 1 UNL1111111111 0.1347 43 H 3.8701 3.0037 1.1144 H 1 UNL1111111111 0.1647 44 H -6.4110 1.6053 1.9033 H 1 UNL1111111111 0.1350 45 H -6.5680 -0.1520 1.8298 H 1 UNL1111111111 0.1338 46 H 6.4085 3.3518 1.2021 H 1 UNL1111111111 0.1727 47 H 6.6745 1.6417 0.8641 H 1 UNL1111111111 0.1499 48 H 5.9007 2.1366 2.3776 H 1 UNL1111111111 0.1585 49 H -8.5035 1.8521 0.4878 H 1 UNL1111111111 0.1422 50 H -8.6610 0.0936 0.4148 H 1 UNL1111111111 0.1412 51 H -8.8302 0.9324 1.9602 H 1 UNL1111111111 0.1393 52 H 5.3090 2.3347 -1.2274 H 1 UNL1111111111 0.3132 @BOND 1 1 5 1 2 1 9 1 3 2 14 2 4 3 20 1 5 3 52 1 6 4 7 1 7 4 17 1 8 4 32 1 9 5 6 1 10 5 10 1 11 5 11 1 12 6 7 1 13 6 24 1 14 6 25 1 15 7 8 2 16 8 9 1 17 8 14 1 18 9 13 2 19 10 26 1 20 10 27 1 21 10 28 1 22 11 29 1 23 11 30 1 24 11 31 1 25 12 13 1 26 12 15 1 27 12 16 2 28 13 33 1 29 14 16 1 30 15 18 1 31 15 34 1 32 15 35 1 33 16 36 1 34 17 20 1 35 17 39 1 36 17 40 1 37 18 19 1 38 18 37 1 39 18 38 1 40 19 21 1 41 19 41 1 42 19 42 1 43 20 22 1 44 20 43 1 45 21 23 1 46 21 44 1 47 21 45 1 48 22 46 1 49 22 47 1 50 22 48 1 51 23 49 1 52 23 50 1 53 23 51 1