BHB71Y
-OEChem-04012113042D
50 52 0 0 0 0 0 0 0999 V2000
6.6132 -3.0262 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3255 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -3.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 -3.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 1.5616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6956 3.2172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 2.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 2.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7010 3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5255 3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2833 4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1023 2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8719 3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1438 3.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0270 3.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1610 3.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0239 2.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -0.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -0.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -0.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 2.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7849 3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6478 4.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7817 4.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5359 2.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3545 1.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6687 2.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 2.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -4.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -4.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 17 1 0 0 0 0
1 27 1 0 0 0 0
2 26 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
5 13 1 0 0 0 0
6 11 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 8 2 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 14 1 0 0 0 0
9 10 2 0 0 0 0
9 12 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 20 1 0 0 0 0
15 34 1 0 0 0 0
16 21 2 0 0 0 0
16 35 1 0 0 0 0
17 20 2 0 0 0 0
17 21 1 0 0 0 0
18 24 1 0 0 0 0
18 36 1 0 0 0 0
19 25 2 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
24 26 2 0 0 0 0
24 46 1 0 0 0 0
25 26 1 0 0 0 0
25 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$