D0A1QK -OEChem-10101305022D 48 50 0 1 0 0 0 0 0999 V2000 3.4782 -1.9054 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.1133 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 -0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9090 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0372 2.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.9109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4487 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2708 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 0.6100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2708 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 1.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -1.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -1.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6645 1.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8662 1.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6482 -1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4453 -1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7144 0.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8662 -1.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6645 -1.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -1.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4447 0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 23 2 0 0 0 0 5 25 1 0 0 0 0 5 48 1 0 0 0 0 6 25 2 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 1 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 25 1 1 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$