D0D5FU -OEChem-05112005213D 43 46 0 0 0 0 0 0 0999 V2000 4.8164 1.3859 -0.1527 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5163 2.0164 0.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 2.1572 -1.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7286 0.2242 0.4865 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -0.5494 0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 -0.9500 -1.1205 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 -4.1979 0.4099 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9515 1.6474 1.0449 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2325 0.0552 -0.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 1.7345 0.8075 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 -0.7484 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 -0.7458 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 0.5656 1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -1.9016 1.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9472 0.2914 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 0.0587 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.0557 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -3.1903 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -0.5776 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 1.0536 -1.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 0.6021 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0223 0.0854 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 0.6967 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 -0.9578 -1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 2.1421 1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 -0.9534 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 -1.6826 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 -0.3108 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 1.4946 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 0.6578 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0089 -1.7844 2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 -1.9453 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 -0.3879 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 -0.2846 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 0.4292 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -0.7748 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 1.7420 -2.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6364 1.6435 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7465 0.3614 -2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6725 -1.6573 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2133 0.2886 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 -1.5795 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2211 2.9790 1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 19 2 0 0 0 0 7 18 3 0 0 0 0 8 21 1 0 0 0 0 8 25 2 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 41 1 0 0 0 0 10 23 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 43 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$