BO4DI5
-OEChem-04022105222D
65 66 0 1 0 0 0 0 0999 V2000
7.1962 4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 1 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
2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 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
7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0000 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
2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.5000 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
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7162 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 32 1 0 0 0 0
2 37 1 0 0 0 0
3 17 2 0 0 0 0
4 18 2 0 0 0 0
5 23 2 0 0 0 0
6 26 1 0 0 0 0
6 62 1 0 0 0 0
7 26 2 0 0 0 0
8 30 1 0 0 0 0
8 65 1 0 0 0 0
9 30 2 0 0 0 0
13 10 1 1 0 0 0
10 17 1 0 0 0 0
10 44 1 0 0 0 0
14 11 1 1 0 0 0
11 23 1 0 0 0 0
11 47 1 0 0 0 0
12 18 1 0 0 0 0
21 12 1 6 0 0 0
12 49 1 0 0 0 0
13 15 1 0 0 0 0
13 18 1 0 0 0 0
13 38 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
14 39 1 0 0 0 0
15 19 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 20 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 24 2 0 0 0 0
20 25 1 0 0 0 0
21 22 1 0 0 0 0
21 26 1 0 0 0 0
21 48 1 0 0 0 0
22 30 1 0 0 0 0
22 50 1 0 0 0 0
22 51 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
24 52 1 0 0 0 0
25 29 2 0 0 0 0
25 53 1 0 0 0 0
27 33 2 0 0 0 0
27 34 1 0 0 0 0
28 31 2 0 0 0 0
28 54 1 0 0 0 0
29 31 1 0 0 0 0
29 55 1 0 0 0 0
31 56 1 0 0 0 0
32 57 1 0 0 0 0
32 58 1 0 0 0 0
32 59 1 0 0 0 0
33 35 1 0 0 0 0
33 60 1 0 0 0 0
34 36 2 0 0 0 0
34 61 1 0 0 0 0
35 37 2 0 0 0 0
35 63 1 0 0 0 0
36 37 1 0 0 0 0
36 64 1 0 0 0 0
M END
$$$$