B3A0DI
-OEChem-04022104502D
56 59 0 1 0 0 0 0 0999 V2000
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9.1837 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -0.4246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.7998 -0.4246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9338 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 0.5754 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1738 -0.9593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.6938 -0.9593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1838 -1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0726 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7950 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5353 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3323 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6505 -1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8676 -2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7171 -2.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6693 2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8675 -2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5238 -1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2334 2.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5334 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 47 1 0 0 0 0
28 48 1 0 0 0 0
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29 32 2 0 0 0 0
31 32 1 0 0 0 0
31 52 1 0 0 0 0
32 53 1 0 0 0 0
M END
$$$$