BBL4E3
-OEChem-04012113302D
52 55 0 1 0 0 0 0 0999 V2000
4.5981 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 15 2 0 0 0 0
3 10 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
8 4 1 1 0 0 0
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4 41 1 0 0 0 0
5 13 1 0 0 0 0
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6 13 2 0 0 0 0
6 17 1 0 0 0 0
7 30 3 0 0 0 0
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18 20 1 0 0 0 0
18 21 2 0 0 0 0
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20 24 2 0 0 0 0
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22 27 2 0 0 0 0
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24 26 1 0 0 0 0
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27 29 1 0 0 0 0
27 50 1 0 0 0 0
28 29 2 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
$$$$