B9MJ1F -OEChem-04012113002D 42 44 0 0 0 0 0 0 0999 V2000 6.7326 -2.9776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9776 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -2.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7326 -2.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 1.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 1.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2326 2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 1.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5987 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 3.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5987 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 2.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -3.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 2.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 3.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 0.9194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2636 0.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1313 1.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5971 3.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -0.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3297 -0.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1465 3.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 3.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 3.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3297 -1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 3.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -3.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -4.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3526 -3.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 4.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 2.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$