@MOLECULE (2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethyl-1-pyrrolidinyl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol 65 69 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.0688 -0.5944 -1.5048 C.3 1 UNL1111111111 -0.2055 2 C -2.4536 0.7797 -1.1864 C.3 1 UNL1111111111 0.1051 3 O -2.7785 1.2164 0.1355 O.3 1 UNL1111111111 -0.3346 4 C -4.0986 1.4202 0.4102 C.ar 1 UNL1111111111 0.1391 5 C -4.3101 2.3724 1.4206 C.ar 1 UNL1111111111 -0.1474 6 C -5.5975 2.6134 1.8665 C.ar 1 UNL1111111111 -0.2017 7 C -6.6525 1.8968 1.2815 C.ar 1 UNL1111111111 0.2507 8 O -7.8856 2.1950 1.7726 O.3 1 UNL1111111111 -0.4696 9 C -6.4562 0.9524 0.2770 C.ar 1 UNL1111111111 -0.2675 10 C -5.1528 0.7096 -0.1617 C.ar 1 UNL1111111111 -0.1291 11 S -4.9064 -0.4913 -1.4217 S.3 1 UNL1111111111 0.0526 12 C -2.5612 -1.6903 -0.6292 C.ar 1 UNL1111111111 -0.0774 13 C -2.7613 -1.6842 0.7536 C.ar 1 UNL1111111111 -0.0644 14 C -2.2466 -2.7023 1.5513 C.ar 1 UNL1111111111 -0.3119 15 C -1.5280 -3.7271 0.9353 C.ar 1 UNL1111111111 0.2955 16 O -0.9848 -4.7588 1.6341 O.3 1 UNL1111111111 -0.4767 17 C -1.3147 -3.7640 -0.4461 C.ar 1 UNL1111111111 -0.2466 18 C -1.8393 -2.7376 -1.2191 C.ar 1 UNL1111111111 -0.0861 19 C -0.9528 0.7107 -1.1791 C.ar 1 UNL1111111111 -0.1287 20 C -0.2439 0.9871 -2.3527 C.ar 1 UNL1111111111 -0.0895 21 C 1.1407 0.9209 -2.3624 C.ar 1 UNL1111111111 -0.2540 22 C 1.8111 0.5829 -1.1742 C.ar 1 UNL1111111111 0.2781 23 C 1.1173 0.2989 0.0025 C.ar 1 UNL1111111111 -0.3021 24 C -0.2731 0.3691 -0.0110 C.ar 1 UNL1111111111 -0.0409 25 O 3.1605 0.5614 -1.3102 O.3 1 UNL1111111111 -0.3541 26 C 3.9276 0.3834 -0.1147 C.3 1 UNL1111111111 -0.0448 27 C 5.3605 0.7385 -0.5573 C.3 1 UNL1111111111 -0.1441 28 N 6.1152 1.0621 0.6740 N.3 1 UNL1111111111 -0.4133 29 C 7.3224 1.8792 0.3996 C.3 1 UNL1111111111 -0.1291 30 C 8.5199 0.9102 0.2208 C.3 1 UNL1111111111 -0.1295 31 C 9.8166 1.5195 0.7396 C.3 1 UNL1111111111 -0.4550 32 C 8.1091 -0.3648 1.0033 C.3 1 UNL1111111111 -0.1276 33 C 8.3130 -1.6305 0.1760 C.3 1 UNL1111111111 -0.4559 34 C 6.6138 -0.1525 1.3701 C.3 1 UNL1111111111 -0.1340 35 H -2.8453 -0.8250 -2.5810 H 1 UNL1111111111 0.1780 36 H -2.8213 1.5609 -1.8964 H 1 UNL1111111111 0.1463 37 H -3.4551 2.9047 1.8377 H 1 UNL1111111111 0.1773 38 H -5.8074 3.3405 2.6480 H 1 UNL1111111111 0.1787 39 H -8.5968 1.6653 1.3391 H 1 UNL1111111111 0.3258 40 H -7.3038 0.4177 -0.1452 H 1 UNL1111111111 0.1707 41 H -3.3199 -0.8748 1.2286 H 1 UNL1111111111 0.1672 42 H -2.4044 -2.6930 2.6236 H 1 UNL1111111111 0.1619 43 H -1.1679 -4.6908 2.6011 H 1 UNL1111111111 0.3262 44 H -0.7479 -4.5794 -0.8867 H 1 UNL1111111111 0.1747 45 H -1.6758 -2.7470 -2.2970 H 1 UNL1111111111 0.1520 46 H -0.7776 1.2570 -3.2632 H 1 UNL1111111111 0.1491 47 H 1.7134 1.1307 -3.2612 H 1 UNL1111111111 0.1701 48 H 1.6312 0.0220 0.9166 H 1 UNL1111111111 0.1677 49 H -0.8335 0.1507 0.9018 H 1 UNL1111111111 0.1668 50 H 3.8277 -0.6628 0.2136 H 1 UNL1111111111 0.1277 51 H 3.5791 1.0746 0.6754 H 1 UNL1111111111 0.1519 52 H 5.3189 1.6331 -1.2195 H 1 UNL1111111111 0.1569 53 H 5.8061 -0.0781 -1.1585 H 1 UNL1111111111 0.1292 54 H 7.4694 2.5368 1.2843 H 1 UNL1111111111 0.1492 55 H 7.1887 2.5436 -0.4703 H 1 UNL1111111111 0.1337 56 H 8.6370 0.6673 -0.8588 H 1 UNL1111111111 0.1378 57 H 9.7419 1.8024 1.7963 H 1 UNL1111111111 0.1483 58 H 10.6510 0.8145 0.6467 H 1 UNL1111111111 0.1479 59 H 10.0859 2.4214 0.1777 H 1 UNL1111111111 0.1467 60 H 8.7063 -0.4431 1.9381 H 1 UNL1111111111 0.1381 61 H 7.7046 -1.6247 -0.7357 H 1 UNL1111111111 0.1473 62 H 9.3604 -1.7402 -0.1293 H 1 UNL1111111111 0.1472 63 H 8.0446 -2.5280 0.7455 H 1 UNL1111111111 0.1460 64 H 6.5076 0.0441 2.4588 H 1 UNL1111111111 0.1434 65 H 5.9987 -1.0406 1.1454 H 1 UNL1111111111 0.1363 @BOND 1 1 2 1 2 1 11 1 3 1 12 1 4 1 35 1 5 2 3 1 6 2 19 1 7 2 36 1 8 3 4 1 9 4 5 ar 10 4 10 ar 11 5 6 ar 12 5 37 1 13 6 7 ar 14 6 38 1 15 7 8 1 16 7 9 ar 17 8 39 1 18 9 10 ar 19 9 40 1 20 10 11 1 21 12 13 ar 22 12 18 ar 23 13 14 ar 24 13 41 1 25 14 15 ar 26 14 42 1 27 15 16 1 28 15 17 ar 29 16 43 1 30 17 18 ar 31 17 44 1 32 18 45 1 33 19 20 ar 34 19 24 ar 35 20 21 ar 36 20 46 1 37 21 22 ar 38 21 47 1 39 22 23 ar 40 22 25 1 41 23 24 ar 42 23 48 1 43 24 49 1 44 25 26 1 45 26 27 1 46 26 50 1 47 26 51 1 48 27 28 1 49 27 52 1 50 27 53 1 51 28 29 1 52 28 34 1 53 29 30 1 54 29 54 1 55 29 55 1 56 30 31 1 57 30 32 1 58 30 56 1 59 31 57 1 60 31 58 1 61 31 59 1 62 32 33 1 63 32 34 1 64 32 60 1 65 33 61 1 66 33 62 1 67 33 63 1 68 34 64 1 69 34 65 1