@MOLECULE (2s,3r)-2-(4-{2-[(3r,4r)-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 -2.7683 0.4268 1.5246 C.3 1 UNL1111111111 -0.2050 2 C -1.9857 -0.7830 0.9811 C.3 1 UNL1111111111 0.1030 3 O -2.4235 -1.1451 -0.3306 O.3 1 UNL1111111111 -0.3319 4 C -3.7091 -1.5938 -0.4310 C.ar 1 UNL1111111111 0.1350 5 C -3.9003 -2.5014 -1.4847 C.ar 1 UNL1111111111 -0.1451 6 C -5.1744 -2.9706 -1.7523 C.ar 1 UNL1111111111 -0.2036 7 C -6.2341 -2.5227 -0.9492 C.ar 1 UNL1111111111 0.2525 8 O -7.4516 -3.0361 -1.2721 O.3 1 UNL1111111111 -0.4695 9 C -6.0573 -1.6230 0.0993 C.ar 1 UNL1111111111 -0.2692 10 C -4.7694 -1.1499 0.3587 C.ar 1 UNL1111111111 -0.1261 11 S -4.5524 -0.0084 1.6787 S.3 1 UNL1111111111 0.0524 12 C -2.5960 1.6628 0.7073 C.ar 1 UNL1111111111 -0.0783 13 C -3.0193 1.7339 -0.6224 C.ar 1 UNL1111111111 -0.0634 14 C -2.8198 2.8898 -1.3720 C.ar 1 UNL1111111111 -0.3123 15 C -2.1861 3.9732 -0.7631 C.ar 1 UNL1111111111 0.2956 16 O -1.9442 5.1388 -1.4191 O.3 1 UNL1111111111 -0.4767 17 C -1.7518 3.9334 0.5656 C.ar 1 UNL1111111111 -0.2474 18 C -1.9654 2.7701 1.2921 C.ar 1 UNL1111111111 -0.0862 19 C -0.5329 -0.4483 0.8063 C.ar 1 UNL1111111111 -0.1315 20 C 0.3644 -0.7510 1.8360 C.ar 1 UNL1111111111 -0.0861 21 C 1.7033 -0.4171 1.7131 C.ar 1 UNL1111111111 -0.2551 22 C 2.1372 0.2205 0.5373 C.ar 1 UNL1111111111 0.2751 23 C 1.2576 0.5163 -0.5040 C.ar 1 UNL1111111111 -0.3022 24 C -0.0839 0.1705 -0.3591 C.ar 1 UNL1111111111 -0.0384 25 O 3.4640 0.4908 0.5475 O.3 1 UNL1111111111 -0.3616 26 C 4.0183 1.1791 -0.5799 C.3 1 UNL1111111111 -0.0463 27 C 5.5298 1.1271 -0.3052 C.3 1 UNL1111111111 -0.1403 28 N 6.1450 0.1134 -1.1940 N.3 1 UNL1111111111 -0.4137 29 C 7.6282 0.1713 -1.1503 C.3 1 UNL1111111111 -0.1343 30 C 8.1059 -0.8143 -0.0522 C.3 1 UNL1111111111 -0.1301 31 C 9.4534 -1.4348 -0.3996 C.3 1 UNL1111111111 -0.4538 32 C 6.9714 -1.8678 0.0396 C.3 1 UNL1111111111 -0.1260 33 C 6.5582 -2.1337 1.4842 C.3 1 UNL1111111111 -0.4549 34 C 5.7993 -1.2759 -0.7921 C.3 1 UNL1111111111 -0.1371 35 H -2.4244 0.6080 2.5781 H 1 UNL1111111111 0.1779 36 H -2.1188 -1.6766 1.6398 H 1 UNL1111111111 0.1459 37 H -3.0414 -2.8202 -2.0756 H 1 UNL1111111111 0.1773 38 H -5.3695 -3.6731 -2.5600 H 1 UNL1111111111 0.1789 39 H -8.1693 -2.6839 -0.6934 H 1 UNL1111111111 0.3260 40 H -6.9095 -1.2996 0.6926 H 1 UNL1111111111 0.1708 41 H -3.5068 0.8784 -1.0949 H 1 UNL1111111111 0.1675 42 H -3.1515 2.9401 -2.4029 H 1 UNL1111111111 0.1622 43 H -2.2827 5.1221 -2.3459 H 1 UNL1111111111 0.3266 44 H -1.2592 4.7977 1.0023 H 1 UNL1111111111 0.1746 45 H -1.6280 2.7204 2.3278 H 1 UNL1111111111 0.1521 46 H 0.0126 -1.2479 2.7395 H 1 UNL1111111111 0.1486 47 H 2.4184 -0.6360 2.5005 H 1 UNL1111111111 0.1697 48 H 1.5911 1.0085 -1.4107 H 1 UNL1111111111 0.1670 49 H -0.7904 0.3933 -1.1630 H 1 UNL1111111111 0.1666 50 H 3.6261 2.2089 -0.5856 H 1 UNL1111111111 0.1314 51 H 3.7515 0.6603 -1.5189 H 1 UNL1111111111 0.1531 52 H 5.7095 0.9312 0.7763 H 1 UNL1111111111 0.1430 53 H 5.9809 2.1168 -0.5330 H 1 UNL1111111111 0.1447 54 H 8.0016 1.1948 -0.9847 H 1 UNL1111111111 0.1296 55 H 7.9887 -0.1446 -2.1533 H 1 UNL1111111111 0.1486 56 H 8.1930 -0.2713 0.9151 H 1 UNL1111111111 0.1361 57 H 10.2378 -0.6725 -0.4680 H 1 UNL1111111111 0.1446 58 H 9.7639 -2.1586 0.3634 H 1 UNL1111111111 0.1481 59 H 9.4244 -1.9636 -1.3597 H 1 UNL1111111111 0.1481 60 H 7.3022 -2.8226 -0.4239 H 1 UNL1111111111 0.1377 61 H 5.7540 -2.8771 1.5375 H 1 UNL1111111111 0.1483 62 H 7.3986 -2.5147 2.0751 H 1 UNL1111111111 0.1449 63 H 6.1913 -1.2247 1.9750 H 1 UNL1111111111 0.1482 64 H 4.8394 -1.3196 -0.2445 H 1 UNL1111111111 0.1529 65 H 5.6603 -1.8511 -1.7312 H 1 UNL1111111111 0.1416 @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