@MOLECULE pf-610355 83 86 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.0785 -2.5308 0.8921 S.O2 1 UNL1111111111 2.3949 2 O 5.7010 -2.3216 1.2214 O.3 1 UNL1111111111 -0.5582 3 O 0.7051 1.4259 2.4744 O.3 1 UNL1111111111 -0.5029 4 O -2.1347 4.9542 -0.0592 O.2 1 UNL1111111111 -0.5349 5 O -0.8055 -1.9730 -0.0974 O.2 1 UNL1111111111 -0.9108 6 O 1.2759 -3.2226 0.4730 O.2 1 UNL1111111111 -0.9223 7 O -5.8451 -2.6936 -3.0705 O.3 1 UNL1111111111 -0.4812 8 N 4.8936 -0.2522 -1.6924 N.3 1 UNL1111111111 -0.5942 9 N 0.5500 -1.2122 1.9495 N.pl3 1 UNL1111111111 -0.8204 10 N -0.8402 3.3594 0.8942 N.am 1 UNL1111111111 -0.6020 11 C 3.6414 -0.0105 -2.4619 C.3 1 UNL1111111111 0.2884 12 C 2.4669 0.0212 -1.4540 C.3 1 UNL1111111111 -0.3527 13 C 3.3862 -1.0826 -3.5395 C.3 1 UNL1111111111 -0.5142 14 C 3.8194 1.3625 -3.1379 C.3 1 UNL1111111111 -0.4763 15 C 4.9614 -1.5003 -0.9143 C.3 1 UNL1111111111 -0.1542 16 C 1.2428 0.7435 -1.9063 C.ar 1 UNL1111111111 0.0474 17 C 5.3162 -1.1349 0.5632 C.3 1 UNL1111111111 0.1475 18 C 1.0757 2.0801 -1.5361 C.ar 1 UNL1111111111 -0.2209 19 C 4.1487 -0.4733 1.2449 C.ar 1 UNL1111111111 -0.0471 20 C 0.2319 0.0886 -2.6112 C.ar 1 UNL1111111111 -0.1651 21 C -0.1025 2.7520 -1.8540 C.ar 1 UNL1111111111 0.0127 22 C -0.9331 0.7727 -2.9515 C.ar 1 UNL1111111111 -0.1226 23 C -1.1078 2.1007 -2.5706 C.ar 1 UNL1111111111 -0.1872 24 C -0.3014 4.1557 -1.3807 C.3 1 UNL1111111111 -0.3777 25 C 2.9673 -1.1993 1.4307 C.ar 1 UNL1111111111 -0.2134 26 C 4.2156 0.8759 1.5795 C.ar 1 UNL1111111111 -0.1334 27 C 1.7914 -0.5554 1.8209 C.ar 1 UNL1111111111 0.1609 28 C 3.0728 1.5330 2.0407 C.ar 1 UNL1111111111 -0.2466 29 C 1.8826 0.8267 2.1277 C.ar 1 UNL1111111111 0.1640 30 C -1.1965 4.1905 -0.1563 C.2 1 UNL1111111111 0.5978 31 C -1.7619 3.2139 2.0291 C.3 1 UNL1111111111 -0.0883 32 C -2.2422 1.7925 2.1599 C.ar 1 UNL1111111111 -0.0205 33 C -0.8454 -3.5564 1.9932 C.3 1 UNL1111111111 -0.7488 34 C -2.8453 1.1570 1.0759 C.ar 1 UNL1111111111 -0.1671 35 C -3.3436 -0.1403 1.2151 C.ar 1 UNL1111111111 0.0430 36 C -2.1055 1.1210 3.3758 C.ar 1 UNL1111111111 -0.1749 37 C -3.2336 -0.8000 2.4429 C.ar 1 UNL1111111111 -0.1922 38 C -3.9847 -0.8042 0.0761 C.ar 1 UNL1111111111 -0.1153 39 C -2.6058 -0.1715 3.5149 C.ar 1 UNL1111111111 -0.1469 40 C -5.3046 -1.2554 0.1834 C.ar 1 UNL1111111111 -0.0826 41 C -3.2713 -0.9853 -1.1129 C.ar 1 UNL1111111111 -0.0210 42 C -5.9221 -1.8860 -0.8888 C.ar 1 UNL1111111111 -0.2659 43 C -3.8687 -1.6160 -2.2001 C.ar 1 UNL1111111111 -0.3169 44 C -5.1856 -2.0577 -2.0652 C.ar 1 UNL1111111111 0.2928 45 H 2.2065 -1.0179 -1.1598 H 1 UNL1111111111 0.1696 46 H 2.8468 0.5066 -0.5242 H 1 UNL1111111111 0.1817 47 H 5.7111 -0.1478 -2.2870 H 1 UNL1111111111 0.2642 48 H 4.2150 -1.1475 -4.2491 H 1 UNL1111111111 0.1468 49 H 2.4803 -0.8470 -4.1090 H 1 UNL1111111111 0.1582 50 H 3.2433 -2.0746 -3.0989 H 1 UNL1111111111 0.1530 51 H 4.6458 1.3629 -3.8539 H 1 UNL1111111111 0.1427 52 H 2.9114 1.6552 -3.6768 H 1 UNL1111111111 0.1575 53 H 4.0246 2.1380 -2.3892 H 1 UNL1111111111 0.1610 54 H 4.0107 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2.0093 H 1 UNL1111111111 0.1961 74 H -0.4818 -3.5032 3.0293 H 1 UNL1111111111 0.1954 75 H -0.7894 -4.6146 1.6986 H 1 UNL1111111111 0.1938 76 H -1.6131 1.6037 4.2161 H 1 UNL1111111111 0.1488 77 H -3.6489 -1.7977 2.5583 H 1 UNL1111111111 0.1494 78 H -2.5148 -0.6842 4.4696 H 1 UNL1111111111 0.1446 79 H -5.8525 -1.1048 1.1133 H 1 UNL1111111111 0.1518 80 H -2.2292 -0.6450 -1.1805 H 1 UNL1111111111 0.1927 81 H -6.9460 -2.2423 -0.8314 H 1 UNL1111111111 0.1751 82 H -3.3169 -1.7672 -3.1197 H 1 UNL1111111111 0.1594 83 H -5.2919 -2.7837 -3.8823 H 1 UNL1111111111 0.3259 @BOND 1 1 5 2 2 1 6 2 3 1 9 1 4 1 33 1 5 2 17 1 6 2 65 1 7 3 29 1 8 3 71 1 9 4 30 2 10 7 44 1 11 7 83 1 12 8 11 1 13 8 15 1 14 8 47 1 15 9 27 1 16 9 67 1 17 10 30 am 18 10 31 1 19 10 68 1 20 11 12 1 21 11 13 1 22 11 14 1 23 12 16 1 24 12 45 1 25 12 46 1 26 13 48 1 27 13 49 1 28 13 50 1 29 14 51 1 30 14 52 1 31 14 53 1 32 15 17 1 33 15 54 1 34 15 55 1 35 16 18 ar 36 16 20 ar 37 17 19 1 38 17 56 1 39 18 21 ar 40 18 57 1 41 19 25 ar 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