DR1894 -OEChem-05042004052D 37 38 0 1 0 0 0 0 0999 V2000 4.6456 0.7198 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3735 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 2.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 0.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8861 1.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4684 2.6628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 1.1493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0461 1.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 2.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1386 -0.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9572 -0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2714 0.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 3.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0850 2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2162 3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 35 1 0 0 0 0 4 22 2 0 0 0 0 11 5 1 6 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 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 20 21 3 0 0 0 0 M END $$$$