BTDI70
-OEChem-04012113302D
78 82 0 1 0 0 0 0 0999 V2000
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9.2204 -1.8603 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.3931 -5.3201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.6127 1.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4020 -1.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8820 3.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2697 3.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0255 1.0394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0004 -0.9851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8709 3.6074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2250 2.5275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0004 1.2619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7822 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6239 2.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0448 1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7822 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5916 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0255 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6762 1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8223 2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3118 0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2585 2.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8667 2.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2229 -1.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6762 -0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5822 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6442 3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3562 1.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5822 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1337 2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7654 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6886 4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2362 2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9556 3.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3092 -3.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7642 -2.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8518 -4.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3068 -3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4943 4.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8485 3.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8505 -4.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4832 4.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1290 5.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8373 3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8504 1.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4964 1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1068 0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1068 -0.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6690 1.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2768 2.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4497 0.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -1.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -1.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6690 -1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1180 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2634 3.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7213 4.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9017 0.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1180 -0.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5412 2.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9715 4.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1944 4.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6727 2.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4498 3.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6555 4.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1828 4.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4075 3.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 3.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5689 -5.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9260 -3.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8697 4.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7061 5.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9025 5.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5519 5.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7449 2.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4504 3.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9298 3.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 35 1 0 0 0 0
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45 78 1 0 0 0 0
M END
$$$$