BJ4D9E -OEChem-04022106533D 48 51 0 0 0 0 0 0 0999 V2000 5.5910 -1.3088 0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 -2.8479 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 -0.0233 0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 -2.2894 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 -0.6956 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 0.3090 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5386 -0.9585 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -1.9456 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 0.4594 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -2.1177 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 -0.9799 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 1.5147 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 -1.1211 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 1.0942 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1511 2.0953 -1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 2.0919 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6765 -1.2005 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 -1.1970 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 -0.2307 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2716 0.9115 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 3.2529 -1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 3.2495 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 -1.3562 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0607 -1.3527 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 3.8299 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7547 -1.4322 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 2.2483 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 1.4441 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -3.1114 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -3.8582 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 0.9392 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4485 1.6594 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 1.6626 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8551 1.6586 -2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 1.6526 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 -1.1432 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -1.1370 -2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 0.3155 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 0.3537 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 3.7048 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2368 3.6989 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 -1.4178 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 -1.4116 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 4.7311 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8340 -1.5531 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 2.8552 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 2.0937 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 2.8133 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 30 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 3 31 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 21 1 0 0 0 0 15 34 1 0 0 0 0 16 22 2 0 0 0 0 16 35 1 0 0 0 0 17 23 1 0 0 0 0 17 36 1 0 0 0 0 18 24 2 0 0 0 0 18 37 1 0 0 0 0 20 27 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$