B3PU9A
-OEChem-04022103232D
48 50 0 0 0 0 0 0 0999 V2000
7.7331 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9451 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3437 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8451 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0851 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 11 2 0 0 0 0
3 24 1 0 0 0 0
3 25 1 0 0 0 0
4 7 1 0 0 0 0
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4 11 1 0 0 0 0
5 15 1 0 0 0 0
5 16 2 0 0 0 0
6 17 1 0 0 0 0
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12 13 1 0 0 0 0
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16 18 1 0 0 0 0
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17 36 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
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20 22 1 0 0 0 0
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21 23 2 0 0 0 0
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22 24 2 0 0 0 0
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23 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
M END
$$$$