B3COG9 -OEChem-04022103263D 39 41 0 1 0 0 0 0 0999 V2000 4.7482 1.4870 -0.1117 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.8268 -1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 -2.8041 1.2614 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 -3.7800 -0.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 0.3266 -0.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 2.2210 1.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8523 0.6777 0.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 3.0413 0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 2.3955 -1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 0.0637 -0.1753 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 2.1983 0.2655 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 -0.8825 -0.3733 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 0.8173 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 -1.8979 0.8510 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6571 -2.5887 0.4552 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0149 -1.1636 -0.4291 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3081 -1.5622 -0.4630 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1941 -0.5738 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.1393 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 1.3274 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 1.4585 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 1.8882 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3259 -0.4958 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -1.4666 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -1.1924 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -2.8713 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -1.7850 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -2.0297 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 -1.1061 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -0.0015 1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 -2.2908 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -4.1549 -0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6677 1.5531 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7408 1.0189 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 -2.2684 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3668 -1.9078 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 -0.9928 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 3.0334 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 1.1692 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 4 15 1 0 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 22 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 19 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$