BLK79B
-OEChem-04022109072D
36 36 0 0 0 0 0 0 0999 V2000
4.5981 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0841 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8441 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0201 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6401 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 14 1 0 0 0 0
2 17 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
4 22 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 29 1 0 0 0 0
6 7 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 15 1 0 0 0 0
12 30 1 0 0 0 0
13 16 2 0 0 0 0
13 31 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
M END
$$$$