@MOLECULE 2,3-dihydro-1,4-benzodioxin-2-ylmethyl [4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetate 68 72 0 0 0 SMALL USER_CHARGES @ATOM 1 O 4.1118 1.2336 -0.8214 O.3 1 UNL11 -0.5036 2 O -0.8436 -0.9697 1.7440 O.3 1 UNL11 -0.4089 3 O -3.9952 -2.0520 0.8400 O.3 1 UNL11 -0.3243 4 O -4.3857 0.7137 0.2281 O.3 1 UNL11 -0.3022 5 O -1.6591 0.5974 3.1364 O.2 1 UNL11 -0.5276 6 N 4.6940 -1.4864 -0.9616 N.3 1 UNL11 -0.4357 7 N 0.7601 3.4512 -0.2257 N.3 1 UNL11 -0.4119 8 C 5.8713 -2.3029 -1.3575 C.3 1 UNL11 -0.1114 9 C 3.5147 -2.1946 -1.5276 C.3 1 UNL11 -0.1110 10 C 0.5929 4.7523 -0.9249 C.3 1 UNL11 -0.1096 11 C -0.0411 2.4839 -1.0213 C.3 1 UNL11 -0.1102 12 C 5.4028 -3.7678 -1.5176 C.3 1 UNL11 -0.2968 13 C 3.8706 -3.6945 -1.6491 C.3 1 UNL11 -0.2960 14 C 0.3234 4.4654 -2.4223 C.3 1 UNL11 -0.3035 15 C -0.0906 2.9843 -2.4848 C.3 1 UNL11 -0.2954 16 C 4.5977 -1.3301 0.5150 C.3 1 UNL11 -0.1185 17 C 2.1941 3.0650 -0.1434 C.3 1 UNL11 -0.1137 18 C 3.4927 -0.3764 0.8744 C.ar 1 UNL11 -0.1665 19 C 2.3458 1.7713 0.6028 C.ar 1 UNL11 -0.0973 20 C 3.3355 0.8499 0.2141 C.ar 1 UNL11 0.2816 21 C 2.6154 -0.6953 1.9114 C.ar 1 UNL11 -0.1220 22 C 1.5179 1.4472 1.6679 C.ar 1 UNL11 -0.1113 23 C 1.6283 0.2049 2.3019 C.ar 1 UNL11 -0.0556 24 C 0.6393 -0.1599 3.3662 C.3 1 UNL11 -0.3396 25 C -0.7437 -0.0963 2.7781 C.2 1 UNL11 0.6257 26 C -3.2865 -1.0200 1.5284 C.3 1 UNL11 0.0272 27 C -1.9308 -0.8095 0.8436 C.3 1 UNL11 -0.0557 28 C -4.1292 0.2551 1.5546 C.3 1 UNL11 -0.1050 29 C -4.5817 -1.6373 -0.3228 C.ar 1 UNL11 0.1079 30 C -4.7918 -0.2811 -0.6135 C.ar 1 UNL11 0.1143 31 C -4.9956 -2.6261 -1.2102 C.ar 1 UNL11 -0.1859 32 C -5.3927 0.1037 -1.8084 C.ar 1 UNL11 -0.1870 33 C -5.6080 -2.2378 -2.4013 C.ar 1 UNL11 -0.1548 34 C -5.7972 -0.8885 -2.7004 C.ar 1 UNL11 -0.1532 35 H 4.6241 0.4522 -1.2043 H 1 UNL11 0.3763 36 H 6.7043 -2.2049 -0.6407 H 1 UNL11 0.1324 37 H 6.2299 -1.8970 -2.3284 H 1 UNL11 0.1453 38 H 3.3198 -1.7513 -2.5277 H 1 UNL11 0.1457 39 H 2.6066 -2.0271 -0.9178 H 1 UNL11 0.1490 40 H 1.4599 5.4173 -0.7764 H 1 UNL11 0.1271 41 H -0.2830 5.2516 -0.4575 H 1 UNL11 0.1433 42 H -1.0588 2.4724 -0.5754 H 1 UNL11 0.1428 43 H 0.3610 1.4579 -0.9463 H 1 UNL11 0.1400 44 H 5.6992 -4.3767 -0.6493 H 1 UNL11 0.1373 45 H 5.8643 -4.2398 -2.3980 H 1 UNL11 0.1411 46 H 3.5255 -4.1067 -2.6095 H 1 UNL11 0.1414 47 H 3.3746 -4.2847 -0.8626 H 1 UNL11 0.1398 48 H 1.2220 4.6522 -3.0295 H 1 UNL11 0.1347 49 H -0.4620 5.1253 -2.8175 H 1 UNL11 0.1362 50 H -1.0960 2.8594 -2.9132 H 1 UNL11 0.1385 51 H 0.5965 2.4061 -3.1221 H 1 UNL11 0.1375 52 H 5.5668 -0.9096 0.8795 H 1 UNL11 0.1501 53 H 4.4657 -2.3065 1.0320 H 1 UNL11 0.1316 54 H 2.7309 3.8698 0.4135 H 1 UNL11 0.1496 55 H 2.6735 2.9984 -1.1483 H 1 UNL11 0.1484 56 H 2.7023 -1.6582 2.4119 H 1 UNL11 0.1494 57 H 0.7550 2.1660 1.9855 H 1 UNL11 0.1841 58 H 0.7089 0.5422 4.2285 H 1 UNL11 0.1849 59 H 0.8312 -1.1713 3.7833 H 1 UNL11 0.1771 60 H -3.1666 -1.4626 2.5450 H 1 UNL11 0.1727 61 H -1.7230 -1.6072 0.0996 H 1 UNL11 0.1678 62 H -1.8452 0.1809 0.3583 H 1 UNL11 0.1544 63 H -5.0958 0.0994 2.0643 H 1 UNL11 0.1432 64 H -3.5956 1.1144 2.0132 H 1 UNL11 0.1910 65 H -4.8380 -3.6745 -0.9699 H 1 UNL11 0.1689 66 H -5.5427 1.1580 -2.0275 H 1 UNL11 0.1702 67 H -5.9389 -2.9986 -3.1055 H 1 UNL11 0.1530 68 H -6.2706 -0.6047 -3.6384 H 1 UNL11 0.1527 @BOND 1 68 34 1 2 51 15 1 3 67 33 1 4 48 14 1 5 50 15 1 6 49 14 1 7 34 33 ar 8 34 32 ar 9 46 13 1 10 38 9 1 11 15 14 1 12 15 11 1 13 14 10 1 14 33 31 ar 15 45 12 1 16 37 8 1 17 66 32 1 18 32 30 ar 19 13 9 1 20 13 12 1 21 13 47 1 22 9 6 1 23 9 39 1 24 12 8 1 25 12 44 1 26 8 6 1 27 8 36 1 28 31 65 1 29 31 29 ar 30 35 1 1 31 55 17 1 32 11 43 1 33 11 42 1 34 11 7 1 35 6 16 1 36 10 40 1 37 10 41 1 38 10 7 1 39 1 20 1 40 30 29 ar 41 30 4 1 42 29 3 1 43 7 17 1 44 17 54 1 45 17 19 1 46 61 27 1 47 20 19 ar 48 20 18 ar 49 4 28 1 50 62 27 1 51 16 18 1 52 16 52 1 53 16 53 1 54 19 22 ar 55 3 26 1 56 27 26 1 57 27 2 1 58 18 21 ar 59 26 28 1 60 26 60 1 61 28 64 1 62 28 63 1 63 22 57 1 64 22 23 ar 65 2 25 1 66 21 23 ar 67 21 56 1 68 23 24 1 69 25 5 2 70 25 24 1 71 24 59 1 72 24 58 1