D00479 -OEChem-05072121522D 41 43 0 0 0 0 0 0 0999 V2000 4.2639 1.2879 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5261 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -0.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5261 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 0.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -2.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -1.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 -0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -2.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 -1.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 -2.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3501 -2.7732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -2.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 -1.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 41 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$