BW8RC2
-OEChem-04022108272D
42 44 0 1 0 0 0 0 0999 V2000
6.0290 -0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3914 -1.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 0.3242 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9350 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0290 1.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7991 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7953 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5312 -0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6594 -1.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5273 -1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4726 0.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5459 1.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1441 1.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4226 2.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6244 2.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6694 0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2571 -1.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 0.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6570 -2.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0135 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9295 -1.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 11 1 0 0 0 0
2 14 1 0 0 0 0
2 35 1 0 0 0 0
3 15 1 0 0 0 0
3 36 1 0 0 0 0
4 19 1 0 0 0 0
4 23 1 0 0 0 0
5 19 2 0 0 0 0
6 22 1 0 0 0 0
6 39 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 2 0 0 0 0
10 14 1 0 0 0 0
11 13 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 15 2 0 0 0 0
13 19 1 0 0 0 0
14 16 2 0 0 0 0
15 16 1 0 0 0 0
16 30 1 0 0 0 0
17 20 1 0 0 0 0
17 31 1 0 0 0 0
18 21 2 0 0 0 0
18 32 1 0 0 0 0
20 22 2 0 0 0 0
20 33 1 0 0 0 0
21 22 1 0 0 0 0
21 34 1 0 0 0 0
23 24 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
M END
$$$$