B7JNE6 -OEChem-04022102152D 38 42 0 0 0 0 0 0 0999 V2000 5.2152 -2.7664 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 0.5983 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 -2.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 0.0983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 -1.1526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3377 -1.4616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4764 1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 2.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 1.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3377 -2.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 3.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 2.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 -3.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.8790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -3.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -3.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 2.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 3.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 3.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -3.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6483 -3.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 -2.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 15 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$