B3XIG9
-OEChem-04012113002D
53 56 0 0 0 0 0 0 0999 V2000
10.6603 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 N 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
8.9282 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
9.7942 2.5000 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
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 2.0000 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
13.2583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 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
14.1244 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 1.0000 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
4.5981 -0.5000 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
2.8660 -0.5000 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 -1.0000 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
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7162 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8723 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2708 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9248 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8554 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
2 41 1 0 0 0 0
3 4 1 0 0 0 0
3 13 2 0 0 0 0
4 21 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
5 28 1 0 0 0 0
6 8 1 0 0 0 0
6 29 1 0 0 0 0
6 30 1 0 0 0 0
7 9 1 0 0 0 0
7 31 1 0 0 0 0
7 32 1 0 0 0 0
8 33 1 0 0 0 0
8 34 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 12 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 42 1 0 0 0 0
15 18 2 0 0 0 0
15 43 1 0 0 0 0
16 20 2 0 0 0 0
16 44 1 0 0 0 0
17 19 2 0 0 0 0
17 45 1 0 0 0 0
18 19 1 0 0 0 0
18 46 1 0 0 0 0
19 47 1 0 0 0 0
20 21 1 0 0 0 0
20 48 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 49 1 0 0 0 0
24 26 2 0 0 0 0
24 50 1 0 0 0 0
25 27 2 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 52 1 0 0 0 0
27 53 1 0 0 0 0
M END
$$$$