@MOLECULE {[(6s)-6-{[3-(diphenylmethyl)-6-oxo-1(6h)-pyridazinyl]methyl}-5,6,7,8-tetrahydro-1-naphthalenyl]oxy}acetic acid 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.5462 0.1580 -0.2390 O.3 1 UNL1 -0.3015 2 O -0.8086 -4.2868 0.6310 O.2 1 UNL1 -0.4962 3 O 8.9628 0.1500 0.5673 O.3 1 UNL1 -0.5798 4 O 7.7245 -1.3949 -0.4645 O.2 1 UNL1 -0.4505 5 N -1.3978 -2.2350 -0.1205 N.ar 1 UNL1 -0.2613 6 N -2.1082 -1.1110 -0.0467 N.ar 1 UNL1 -0.1416 7 C 0.9369 -1.5079 -0.6011 C.3 1 UNL1 -0.1101 8 C 2.1345 -1.8362 -1.5034 C.3 1 UNL1 -0.2707 9 C 0.7398 0.0143 -0.5613 C.3 1 UNL1 -0.3033 10 C 3.4159 -1.2718 -0.8787 C.3 1 UNL1 -0.2564 11 C -0.3259 -2.2158 -1.1392 C.3 1 UNL1 -0.0776 12 C 2.0052 0.7352 -0.2255 C.ar 1 UNL1 0.0629 13 C 3.2484 0.1291 -0.3868 C.ar 1 UNL1 -0.0878 14 C 4.3951 0.8721 -0.0422 C.ar 1 UNL1 0.2080 15 C 1.9195 2.0529 0.2485 C.ar 1 UNL1 -0.2426 16 C 4.3269 2.1790 0.4230 C.ar 1 UNL1 -0.3029 17 C 3.0661 2.7655 0.5643 C.ar 1 UNL1 -0.0863 18 C -1.5246 -3.3219 0.7902 C.ar 1 UNL1 0.5260 19 C -3.0100 -0.9700 0.9097 C.ar 1 UNL1 0.0064 20 C -3.7732 0.3313 0.9721 C.3 1 UNL1 -0.1196 21 C -2.5411 -3.1442 1.8164 C.ar 1 UNL1 -0.2709 22 C -3.2635 -2.0007 1.8814 C.ar 1 UNL1 -0.0910 23 C -5.0510 0.2862 0.1694 C.ar 1 UNL1 -0.0006 24 C -2.9106 1.4870 0.5158 C.ar 1 UNL1 0.0054 25 C 6.7472 0.7592 0.2284 C.3 1 UNL1 -0.1258 26 C -6.1058 1.1174 0.5571 C.ar 1 UNL1 -0.1686 27 C -2.2990 2.2999 1.4717 C.ar 1 UNL1 -0.1667 28 C -5.1928 -0.5331 -0.9504 C.ar 1 UNL1 -0.1628 29 C -2.7085 1.7398 -0.8422 C.ar 1 UNL1 -0.1336 30 C 7.7930 -0.3120 0.0399 C.2 1 UNL1 0.6228 31 C -7.2918 1.1270 -0.1717 C.ar 1 UNL1 -0.1352 32 C -1.5003 3.3682 1.0690 C.ar 1 UNL1 -0.1455 33 C -6.3826 -0.5242 -1.6758 C.ar 1 UNL1 -0.1356 34 C -1.9066 2.8057 -1.2415 C.ar 1 UNL1 -0.1422 35 C -7.4328 0.3050 -1.2889 C.ar 1 UNL1 -0.1559 36 C -1.3056 3.6245 -0.2869 C.ar 1 UNL1 -0.1539 37 H 1.1484 -1.8779 0.4325 H 1 UNL1 0.1576 38 H 1.9839 -1.4079 -2.5118 H 1 UNL1 0.1421 39 H 2.2365 -2.9294 -1.6395 H 1 UNL1 0.1448 40 H -0.0602 0.2764 0.1663 H 1 UNL1 0.1707 41 H 0.3569 0.3817 -1.5387 H 1 UNL1 0.1646 42 H 3.7472 -1.9175 -0.0347 H 1 UNL1 0.1615 43 H 4.2468 -1.3251 -1.6169 H 1 UNL1 0.1616 44 H -0.6985 -1.7145 -2.0605 H 1 UNL1 0.1594 45 H -0.0965 -3.2780 -1.4006 H 1 UNL1 0.1726 46 H 0.9398 2.5136 0.3699 H 1 UNL1 0.1647 47 H 5.2131 2.7488 0.6718 H 1 UNL1 0.1581 48 H 2.9891 3.7885 0.9283 H 1 UNL1 0.1450 49 H -4.0493 0.4995 2.0538 H 1 UNL1 0.1663 50 H -2.6648 -3.9734 2.5116 H 1 UNL1 0.1895 51 H -4.0296 -1.8376 2.6393 H 1 UNL1 0.1711 52 H 6.6581 1.0418 1.2978 H 1 UNL1 0.1713 53 H 6.9854 1.6560 -0.3786 H 1 UNL1 0.1678 54 H -5.9986 1.7675 1.4232 H 1 UNL1 0.1524 55 H -2.4388 2.1021 2.5320 H 1 UNL1 0.1495 56 H -4.3760 -1.1801 -1.2686 H 1 UNL1 0.1635 57 H -3.1723 1.0945 -1.5883 H 1 UNL1 0.1628 58 H -8.1087 1.7792 0.1302 H 1 UNL1 0.1472 59 H -1.0279 4.0017 1.8166 H 1 UNL1 0.1464 60 H -6.4888 -1.1670 -2.5476 H 1 UNL1 0.1497 61 H -1.7490 2.9971 -2.3009 H 1 UNL1 0.1499 62 H -8.3604 0.3121 -1.8565 H 1 UNL1 0.1476 63 H -0.6846 4.4600 -0.6011 H 1 UNL1 0.1470 64 H 9.7137 -0.4869 0.4887 H 1 UNL1 0.3605 @BOND 1 60 33 1 2 38 8 1 3 61 34 1 4 44 11 1 5 62 35 1 6 33 35 ar 7 33 28 ar 8 39 8 1 9 43 10 1 10 57 29 1 11 41 9 1 12 8 10 1 13 8 7 1 14 45 11 1 15 35 31 ar 16 56 28 1 17 34 29 ar 18 34 36 ar 19 11 7 1 20 11 5 1 21 28 23 ar 22 10 13 1 23 10 42 1 24 29 24 ar 25 7 9 1 26 7 37 1 27 63 36 1 28 9 12 1 29 9 40 1 30 4 30 2 31 13 12 ar 32 13 14 ar 33 53 25 1 34 36 32 ar 35 1 14 1 36 1 25 1 37 12 15 ar 38 31 58 1 39 31 26 ar 40 5 6 ar 41 5 18 ar 42 6 19 ar 43 14 16 ar 44 30 25 1 45 30 3 1 46 23 26 ar 47 23 20 1 48 25 52 1 49 15 46 1 50 15 17 ar 51 16 17 ar 52 16 47 1 53 64 3 1 54 24 20 1 55 24 27 ar 56 26 54 1 57 17 48 1 58 2 18 2 59 18 21 ar 60 19 20 1 61 19 22 ar 62 20 49 1 63 32 27 ar 64 32 59 1 65 27 55 1 66 21 22 ar 67 21 50 1 68 22 51 1