BW4I1K
-OEChem-04012120042D
78 80 0 1 0 0 0 0 0999 V2000
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6.3301 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.9282 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4422 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6822 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9703 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3503 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
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39 77 1 0 0 0 0
40 78 1 0 0 0 0
M END
$$$$