B5EH3F
-OEChem-04022106172D
48 52 0 1 0 0 0 0 0999 V2000
10.2724 0.9486 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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9.5920 -2.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7327 0.4513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.1140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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7.1962 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 -0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2706 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3219 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0145 2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6849 2.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0367 2.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3775 3.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7293 3.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3997 4.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -3.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -1.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -1.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 -4.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 -4.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7716 -0.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2911 2.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6210 1.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7932 4.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1231 3.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2092 4.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 21 1 0 0 0 0
2 25 1 0 0 0 0
3 15 2 0 0 0 0
4 9 1 0 0 0 0
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29 47 1 0 0 0 0
30 48 1 0 0 0 0
M END
$$$$