B68QMW -OEChem-04022107343D 39 40 0 0 0 0 0 0 0999 V2000 3.1672 -1.6190 -0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.8132 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 -2.3132 -1.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -2.3178 1.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4315 0.6278 0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9947 2.3914 0.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0861 0.3975 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8645 -1.2430 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3896 -0.3455 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 1.6654 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 0.1565 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 0.1580 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8404 1.1619 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8388 1.1634 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 -1.5504 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 -0.6804 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6281 -0.5836 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3558 2.7414 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 -1.5047 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 0.7062 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 0.4445 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5429 -0.9423 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5687 1.2687 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 1.0304 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 -0.2158 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 -0.2121 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2099 1.5451 2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 1.5478 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -2.1775 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4802 -2.1765 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -2.2606 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 3.3869 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2578 3.3837 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 2.3004 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 -2.5868 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 1.4078 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 -1.6017 -0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 2.3527 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 2.7764 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 39 1 0 0 0 0 7 24 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$