BH25PL
-OEChem-04022107092D
66 69 0 1 0 0 0 0 0999 V2000
2.0000 -4.9434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -5.9434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -4.9434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.2688 2.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8402 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6591 3.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0878 4.4045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 2.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.5955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 2.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 4.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7788 5.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5878 5.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3968 5.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6756 3.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 3.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6701 3.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0768 4.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0714 4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4890 5.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2524 2.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8347 2.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2482 4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 5.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2124 5.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0026 6.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1729 6.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9632 5.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7068 5.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2867 3.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4602 4.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3987 2.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0057 2.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1362 4.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6880 4.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0065 5.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9906 5.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1246 5.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9874 5.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6013 2.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -0.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -0.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8995 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4513 2.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7699 2.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -2.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -2.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 37 1 0 0 0 0
2 37 1 0 0 0 0
3 37 1 0 0 0 0
4 15 2 0 0 0 0
5 24 1 0 0 0 0
5 31 1 0 0 0 0
6 24 2 0 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
8 19 1 0 0 0 0
8 47 1 0 0 0 0
9 16 2 0 0 0 0
9 22 1 0 0 0 0
17 10 1 6 0 0 0
10 24 1 0 0 0 0
10 48 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 0 0 0 0
11 38 1 1 0 0 0
12 13 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 14 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
14 43 1 0 0 0 0
14 44 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
17 45 1 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
18 46 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
20 49 1 0 0 0 0
20 50 1 0 0 0 0
20 51 1 0 0 0 0
21 52 1 0 0 0 0
21 53 1 0 0 0 0
21 54 1 0 0 0 0
22 55 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
25 27 1 0 0 0 0
25 56 1 0 0 0 0
26 28 2 0 0 0 0
26 57 1 0 0 0 0
27 29 2 0 0 0 0
27 58 1 0 0 0 0
28 29 1 0 0 0 0
28 59 1 0 0 0 0
29 30 1 0 0 0 0
30 32 2 0 0 0 0
30 33 1 0 0 0 0
31 60 1 0 0 0 0
31 61 1 0 0 0 0
31 62 1 0 0 0 0
32 34 1 0 0 0 0
32 63 1 0 0 0 0
33 35 2 0 0 0 0
33 64 1 0 0 0 0
34 36 2 0 0 0 0
34 65 1 0 0 0 0
35 36 1 0 0 0 0
35 66 1 0 0 0 0
36 37 1 0 0 0 0
M END
$$$$