B8CG5R
-OEChem-04012115152D
82 83 0 1 0 0 0 0 0999 V2000
0.0000 0.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 0.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.2733 5.2635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.9073 3.8975 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.2733 3.5314 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.9073 8.2635 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.2733 9.6295 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.2733 7.8975 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5054 4.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5054 8.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6393 5.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6393 10.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1084 11.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 8.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5151 12.8814 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.9073 9.5898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9218 13.7949 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0
4.6962 11.1588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0052 10.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5981 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6962 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3871 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 8.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1962 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9562 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7733 4.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7733 8.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6393 4.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6393 9.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9776 11.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1022 9.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3026 11.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6313 11.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8207 10.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0771 9.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5422 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0423 4.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0423 9.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 47 1 0 0 0 0
2 48 1 0 0 0 0
3 49 1 0 0 0 0
4 49 1 0 0 0 0
5 49 1 0 0 0 0
6 50 1 0 0 0 0
7 50 1 0 0 0 0
8 50 1 0 0 0 0
9 33 2 0 0 0 0
10 35 2 0 0 0 0
11 51 1 0 0 0 0
11 81 1 0 0 0 0
12 52 1 0 0 0 0
12 82 1 0 0 0 0
13 51 2 0 0 0 0
14 52 2 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
15 31 1 0 0 0 0
16 24 1 0 0 0 0
16 28 1 0 0 0 0
16 33 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
17 35 1 0 0 0 0
18 20 2 0 0 0 0
23 18 1 1 0 0 0
32 19 1 6 0 0 0
19 71 1 0 0 0 0
19 72 1 0 0 0 0
20 22 2 0 0 0 0
21 38 3 0 0 0 0
23 27 1 0 0 0 0
23 28 1 0 0 0 0
23 53 1 0 0 0 0
24 27 1 0 0 0 0
24 38 1 1 0 0 0
24 54 1 0 0 0 0
25 29 1 0 0 0 0
25 55 1 0 0 0 0
25 56 1 0 0 0 0
26 30 1 0 0 0 0
26 57 1 0 0 0 0
26 58 1 0 0 0 0
27 59 1 0 0 0 0
27 60 1 0 0 0 0
28 61 1 0 0 0 0
28 62 1 0 0 0 0
29 63 1 0 0 0 0
29 64 1 0 0 0 0
30 65 1 0 0 0 0
30 66 1 0 0 0 0
31 36 1 0 0 0 0
31 37 1 0 0 0 0
31 67 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
32 68 1 0 0 0 0
34 35 1 0 0 0 0
34 69 1 0 0 0 0
34 70 1 0 0 0 0
36 39 2 0 0 0 0
36 41 1 0 0 0 0
37 40 2 0 0 0 0
37 42 1 0 0 0 0
39 43 1 0 0 0 0
39 73 1 0 0 0 0
40 44 1 0 0 0 0
40 74 1 0 0 0 0
41 45 2 0 0 0 0
41 75 1 0 0 0 0
42 46 2 0 0 0 0
42 76 1 0 0 0 0
43 47 2 0 0 0 0
43 77 1 0 0 0 0
44 48 2 0 0 0 0
44 78 1 0 0 0 0
45 47 1 0 0 0 0
45 79 1 0 0 0 0
46 48 1 0 0 0 0
46 80 1 0 0 0 0
49 51 1 0 0 0 0
50 52 1 0 0 0 0
M CHG 2 20 1 22 -1
M END
$$$$