B3E1DF -OEChem-04012114562D 46 48 0 0 0 0 0 0 0999 V2000 6.3919 0.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.8022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4309 -0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3706 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5442 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0233 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1366 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4839 -1.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 -2.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4472 2.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9616 -1.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9156 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7192 -0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5672 3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7203 2.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 2.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 1.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7572 1.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2719 -2.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0665 -2.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 -1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3797 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3033 -2.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1768 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4379 1.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 23 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 26 1 0 0 0 0 10 20 2 0 0 0 0 10 27 1 0 0 0 0 11 20 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$