B4XFV9
-OEChem-04012113332D
59 61 0 1 0 0 0 0 0999 V2000
7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
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3 7 1 0 0 0 0
3 11 1 0 0 0 0
12 4 1 6 0 0 0
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6 29 1 0 0 0 0
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8 10 1 0 0 0 0
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9 35 1 0 0 0 0
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15 16 1 0 0 0 0
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15 48 1 0 0 0 0
16 17 2 0 0 0 0
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17 19 1 0 0 0 0
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18 20 2 0 0 0 0
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22 23 1 0 0 0 0
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23 24 2 0 0 0 0
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25 27 2 0 0 0 0
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26 28 2 0 0 0 0
26 57 1 0 0 0 0
27 28 1 0 0 0 0
27 58 1 0 0 0 0
28 59 1 0 0 0 0
M END
$$$$