D00QNV
-OEChem-09301911122D
57 59 0 1 0 0 0 0 0999 V2000
2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6793 2.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6793 0.6953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4030 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9900 3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2629 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9685 3.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3221 3.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0135 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1826 3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8829 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0963 2.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5751 3.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8406 4.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7836 4.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9081 4.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8607 3.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 43 1 0 0 0 0
9 2 1 6 0 0 0
2 15 1 0 0 0 0
2 35 1 0 0 0 0
3 13 1 0 0 0 0
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3 20 1 0 0 0 0
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10 30 1 0 0 0 0
11 16 1 0 0 0 0
11 31 1 0 0 0 0
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13 21 1 0 0 0 0
13 22 1 0 0 0 0
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16 38 1 0 0 0 0
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17 19 2 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
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20 44 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
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23 24 1 0 0 0 0
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24 25 1 0 0 0 0
24 26 2 0 0 0 0
25 27 2 0 0 0 0
25 54 1 0 0 0 0
26 55 1 0 0 0 0
27 28 1 0 0 0 0
27 56 1 0 0 0 0
28 57 1 0 0 0 0
M END
$$$$