B2CDW6
-OEChem-04022102322D
44 46 0 0 0 0 0 0 0999 V2000
6.3301 1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0052 4.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3871 4.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 5.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 5.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3152 3.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5716 4.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8207 4.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0771 3.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3026 5.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 5.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7610 5.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0897 5.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 2.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 2.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 2.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -5.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -5.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 14 1 0 0 0 0
2 17 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 20 1 0 0 0 0
4 43 1 0 0 0 0
4 44 1 0 0 0 0
5 7 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 10 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 15 1 0 0 0 0
12 35 1 0 0 0 0
13 16 2 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 21 1 0 0 0 0
18 39 1 0 0 0 0
19 22 2 0 0 0 0
19 40 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
M END
$$$$