B5V2EO
-OEChem-04012118392D
40 43 0 0 0 0 0 0 0999 V2000
4.3733 -2.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6978 -0.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8785 0.5686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1759 -0.9259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 -2.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 2.1226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8247 0.2639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8247 1.8734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2804 0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1464 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1978 -1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0125 0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1464 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8785 1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0125 2.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 3.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 3.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4083 1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3788 -2.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 3.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9721 -3.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0812 -0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0125 -0.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6095 1.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0125 2.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 1.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1744 -2.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 2.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6142 4.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0283 1.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8522 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8981 4.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0225 4.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4057 -3.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7199 -4.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5385 -4.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 2 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
2 26 1 0 0 0 0
3 7 1 0 0 0 0
3 14 1 0 0 0 0
3 16 1 0 0 0 0
4 9 1 0 0 0 0
4 13 2 0 0 0 0
5 13 1 0 0 0 0
5 23 1 0 0 0 0
5 31 1 0 0 0 0
6 12 1 0 0 0 0
6 19 2 0 0 0 0
7 22 2 0 0 0 0
8 16 2 0 0 0 0
8 22 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 18 2 0 0 0 0
14 27 1 0 0 0 0
15 17 2 0 0 0 0
15 28 1 0 0 0 0
16 17 1 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 1 0 0 0 0
19 24 1 0 0 0 0
20 21 2 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
23 25 1 0 0 0 0
24 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$