B1CJA2
-OEChem-04022107052D
51 53 0 0 0 0 0 0 0999 V2000
3.7320 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.0000 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
6.3301 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
3.7320 0.0000 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
4.5981 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
4.5981 0.5000 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
2.8660 -2.5000 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
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 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 -2.0000 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
3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.4631 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
1.6900 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 12 1 0 0 0 0
1 13 1 0 0 0 0
2 5 1 0 0 0 0
2 11 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 26 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 10 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 16 1 0 0 0 0
14 37 1 0 0 0 0
15 17 2 0 0 0 0
15 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
18 20 1 0 0 0 0
18 23 1 0 0 0 0
19 21 2 0 0 0 0
19 24 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 22 1 0 0 0 0
21 42 1 0 0 0 0
22 25 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
24 48 1 0 0 0 0
25 49 1 0 0 0 0
25 50 1 0 0 0 0
25 51 1 0 0 0 0
M END
$$$$