BNA86V
-OEChem-04012113442D
55 58 0 1 0 0 0 0 0999 V2000
2.5369 -2.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -3.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1350 -2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 -4.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -3.7780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0010 4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5010 5.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 5.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -1.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -3.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -2.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -2.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -4.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5999 4.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0836 5.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6087 6.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 6.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9184 5.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 -4.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 -4.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -5.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 3.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 0.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 1.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 1 0 0 0
1 42 1 0 0 0 0
9 2 1 1 0 0 0
2 43 1 0 0 0 0
10 3 1 6 0 0 0
3 45 1 0 0 0 0
4 15 1 0 0 0 0
4 51 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 14 1 6 0 0 0
5 28 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 15 1 6 0 0 0
6 29 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 10 1 0 0 0 0
8 32 1 0 0 0 0
9 10 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 16 1 0 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 17 1 0 0 0 0
14 18 2 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 19 2 0 0 0 0
17 44 1 0 0 0 0
18 24 1 0 0 0 0
18 46 1 0 0 0 0
19 22 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
20 47 1 0 0 0 0
21 27 2 0 0 0 0
21 48 1 0 0 0 0
22 23 1 0 0 0 0
22 49 1 0 0 0 0
22 50 1 0 0 0 0
23 26 2 0 0 0 0
23 27 1 0 0 0 0
24 25 2 0 0 0 0
24 52 1 0 0 0 0
25 53 1 0 0 0 0
26 54 1 0 0 0 0
27 55 1 0 0 0 0
M END
$$$$