BA8GJ9 -OEChem-04012112102D 42 43 0 1 0 0 0 0 0999 V2000 5.3147 0.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.1627 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0468 -1.8318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6691 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 0.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -0.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -0.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 1.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 2.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1774 0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2463 -0.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0434 -0.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -1.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -1.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 -0.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 -0.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 0.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 16 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 6 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 M END $$$$