@MOLECULE (6s)-1-[(2r)-2-aziridinyl]-6,7-bis(4-hydroxyphenyl)-5-nonanone 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3934 0.6994 -1.5943 O.2 1 UNL1111111111 -0.4563 2 O 2.1133 -4.7404 -0.4701 O.3 1 UNL1111111111 -0.4748 3 O 6.4044 0.4365 1.2288 O.3 1 UNL1111111111 -0.4761 4 N -8.1505 -0.3501 -0.0745 N.3 1 UNL1111111111 -0.4780 5 C -6.6741 -0.2365 -0.0427 C.3 1 UNL1111111111 -0.0444 6 C -7.4128 -1.1080 0.9566 C.3 1 UNL1111111111 -0.2361 7 C -6.1342 1.1134 0.3734 C.3 1 UNL1111111111 -0.2695 8 C -4.7464 0.9802 1.0114 C.3 1 UNL1111111111 -0.2746 9 C -3.6550 0.7676 -0.0435 C.3 1 UNL1111111111 -0.2468 10 C 0.2390 0.5232 0.1366 C.3 1 UNL1111111111 -0.2397 11 C 1.1982 1.4569 -0.6501 C.3 1 UNL1111111111 -0.0932 12 C -2.2780 0.6592 0.6174 C.3 1 UNL1111111111 -0.3838 13 C -1.1784 0.6381 -0.4112 C.2 1 UNL1111111111 0.4773 14 C 0.7809 2.9310 -0.4870 C.3 1 UNL1111111111 -0.2617 15 C 0.6915 -0.9032 0.0044 C.ar 1 UNL1111111111 -0.0772 16 C 2.6044 1.2179 -0.1709 C.ar 1 UNL1111111111 -0.0642 17 C 1.6601 3.8399 -1.3450 C.3 1 UNL1111111111 -0.4352 18 C 1.2549 -1.5515 1.1045 C.ar 1 UNL1111111111 -0.0813 19 C 0.6054 -1.5629 -1.2282 C.ar 1 UNL1111111111 -0.0922 20 C 3.5118 0.5655 -1.0087 C.ar 1 UNL1111111111 -0.0892 21 C 3.0007 1.6033 1.1149 C.ar 1 UNL1111111111 -0.1065 22 C 1.7451 -2.8499 0.9861 C.ar 1 UNL1111111111 -0.3063 23 C 1.0833 -2.8570 -1.3710 C.ar 1 UNL1111111111 -0.2411 24 C 4.8050 0.2846 -0.5752 C.ar 1 UNL1111111111 -0.2997 25 C 4.2848 1.3375 1.5713 C.ar 1 UNL1111111111 -0.2447 26 C 1.6546 -3.4794 -0.2552 C.ar 1 UNL1111111111 0.2906 27 C 5.1680 0.6740 0.7138 C.ar 1 UNL1111111111 0.2807 28 H -6.0760 -0.7226 -0.8238 H 1 UNL1111111111 0.1454 29 H -7.5644 -0.7639 1.9818 H 1 UNL1111111111 0.1692 30 H -7.3310 -2.1908 0.9125 H 1 UNL1111111111 0.1439 31 H -6.8359 1.6021 1.0820 H 1 UNL1111111111 0.1586 32 H -6.1010 1.7903 -0.5038 H 1 UNL1111111111 0.1520 33 H -8.5461 -0.8923 -0.8320 H 1 UNL1111111111 0.2528 34 H -4.7456 0.1458 1.7383 H 1 UNL1111111111 0.1404 35 H -4.5263 1.8918 1.5997 H 1 UNL1111111111 0.1355 36 H -3.8587 -0.1423 -0.6403 H 1 UNL1111111111 0.1472 37 H -3.6591 1.5996 -0.7764 H 1 UNL1111111111 0.1535 38 H 0.2532 0.8336 1.2100 H 1 UNL1111111111 0.1590 39 H 1.1142 1.1973 -1.7387 H 1 UNL1111111111 0.1649 40 H -2.2214 -0.2596 1.2378 H 1 UNL1111111111 0.1709 41 H -2.1196 1.5043 1.3171 H 1 UNL1111111111 0.1634 42 H -0.2788 3.0521 -0.7870 H 1 UNL1111111111 0.1416 43 H 0.8372 3.2389 0.5724 H 1 UNL1111111111 0.1328 44 H 2.7199 3.7371 -1.0795 H 1 UNL1111111111 0.1517 45 H 1.5651 3.6000 -2.4105 H 1 UNL1111111111 0.1465 46 H 1.3880 4.8929 -1.2180 H 1 UNL1111111111 0.1396 47 H 1.3311 -1.0384 2.0629 H 1 UNL1111111111 0.1516 48 H 0.1595 -1.0518 -2.0868 H 1 UNL1111111111 0.1746 49 H 3.2053 0.2600 -2.0097 H 1 UNL1111111111 0.1562 50 H 2.2969 2.1169 1.7687 H 1 UNL1111111111 0.1495 51 H 2.1934 -3.3496 1.8367 H 1 UNL1111111111 0.1600 52 H 1.0277 -3.3861 -2.3187 H 1 UNL1111111111 0.1765 53 H 5.5050 -0.2294 -1.2240 H 1 UNL1111111111 0.1618 54 H 4.6107 1.6278 2.5659 H 1 UNL1111111111 0.1724 55 H 2.5235 -5.1318 0.3371 H 1 UNL1111111111 0.3265 56 H 6.9873 -0.0391 0.5906 H 1 UNL1111111111 0.3260 @BOND 1 1 13 2 2 2 26 1 3 2 55 1 4 3 27 1 5 3 56 1 6 4 5 1 7 4 6 1 8 4 33 1 9 5 6 1 10 5 7 1 11 5 28 1 12 6 29 1 13 6 30 1 14 7 8 1 15 7 31 1 16 7 32 1 17 8 9 1 18 8 34 1 19 8 35 1 20 9 12 1 21 9 36 1 22 9 37 1 23 10 11 1 24 10 13 1 25 10 15 1 26 10 38 1 27 11 14 1 28 11 16 1 29 11 39 1 30 12 13 1 31 12 40 1 32 12 41 1 33 14 17 1 34 14 42 1 35 14 43 1 36 15 18 ar 37 15 19 ar 38 16 20 ar 39 16 21 ar 40 17 44 1 41 17 45 1 42 17 46 1 43 18 22 ar 44 18 47 1 45 19 23 ar 46 19 48 1 47 20 24 ar 48 20 49 1 49 21 25 ar 50 21 50 1 51 22 26 ar 52 22 51 1 53 23 26 ar 54 23 52 1 55 24 27 ar 56 24 53 1 57 25 27 ar 58 25 54 1