B76BRW
-OEChem-04022103222D
55 57 0 1 0 0 0 0 0999 V2000
6.3301 4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 6.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.5000 0.0000 N 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
3.7320 -0.0000 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
2.8660 1.5000 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
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 3.5000 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
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5000 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
5.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.0000 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
3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.0826 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
4.8101 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 3.1900 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
4.2881 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 7 1 0 0 0 0
3 14 1 0 0 0 0
3 15 1 0 0 0 0
12 4 1 6 0 0 0
4 44 1 0 0 0 0
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5 28 3 0 0 0 0
6 8 1 0 0 0 0
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16 18 2 0 0 0 0
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17 20 2 0 0 0 0
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19 22 2 0 0 0 0
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20 25 1 0 0 0 0
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21 26 2 0 0 0 0
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26 55 1 0 0 0 0
27 28 1 0 0 0 0
M END
$$$$