BKV6D5
-OEChem-04012118342D
67 71 0 1 0 0 0 0 0999 V2000
5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.9282 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 38 1 0 0 0 0
2 19 2 0 0 0 0
3 9 1 0 0 0 0
4 9 2 0 0 0 0
5 10 1 0 0 0 0
6 10 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 18 1 0 0 0 0
8 15 1 0 0 0 0
8 26 1 0 0 0 0
8 46 1 0 0 0 0
9 27 1 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 16 1 1 0 0 0
11 42 1 0 0 0 0
12 14 1 0 0 0 0
12 17 1 6 0 0 0
12 43 1 0 0 0 0
13 15 1 0 0 0 0
13 44 1 0 0 0 0
13 45 1 0 0 0 0
14 15 2 0 0 0 0
14 19 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
18 24 2 0 0 0 0
18 25 1 0 0 0 0
20 27 1 0 0 0 0
20 47 1 0 0 0 0
21 29 2 0 0 0 0
21 48 1 0 0 0 0
22 28 1 0 0 0 0
22 49 1 0 0 0 0
23 30 2 0 0 0 0
23 50 1 0 0 0 0
24 31 1 0 0 0 0
24 51 1 0 0 0 0
25 32 2 0 0 0 0
25 52 1 0 0 0 0
26 36 2 0 0 0 0
26 37 1 0 0 0 0
27 33 2 0 0 0 0
28 34 2 0 0 0 0
29 33 1 0 0 0 0
29 53 1 0 0 0 0
30 34 1 0 0 0 0
30 54 1 0 0 0 0
31 35 2 0 0 0 0
31 55 1 0 0 0 0
32 35 1 0 0 0 0
32 56 1 0 0 0 0
33 57 1 0 0 0 0
34 58 1 0 0 0 0
35 59 1 0 0 0 0
36 39 1 0 0 0 0
36 60 1 0 0 0 0
37 40 2 0 0 0 0
37 61 1 0 0 0 0
38 62 1 0 0 0 0
38 63 1 0 0 0 0
38 64 1 0 0 0 0
39 41 2 0 0 0 0
39 65 1 0 0 0 0
40 41 1 0 0 0 0
40 66 1 0 0 0 0
41 67 1 0 0 0 0
M CHG 4 3 -1 5 -1 9 1 10 1
M END
$$$$