B4GWA5
-OEChem-04012115152D
80 81 0 1 0 0 0 0 0999 V2000
0.0000 0.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 0.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 4.6332 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.2671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 2.9011 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 7.2671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 7.6332 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 8.9992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 3.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 8.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 5.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 9.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 8.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 8.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3871 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0052 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6962 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6962 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2839 11.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 8.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 8.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8207 10.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0771 9.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3152 9.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5716 10.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7610 11.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0897 11.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9005 11.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0318 12.5343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 4.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 8.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 43 1 0 0 0 0
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28 18 1 6 0 0 0
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31 33 1 0 0 0 0
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33 42 2 0 0 0 0
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45 47 1 0 0 0 0
46 48 1 0 0 0 0
M END
$$$$