BJ5U0K
-OEChem-04022101552D
54 55 0 1 0 0 0 0 0999 V2000
4.2690 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0010 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0010 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7830 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2471 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4871 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 5.6200 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 11 1 0 0 0 0
1 17 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 12 1 0 0 0 0
2 18 1 0 0 0 0
7 21 1 0 0 0 0
7 51 1 0 0 0 0
8 22 1 0 0 0 0
8 52 1 0 0 0 0
9 25 1 0 0 0 0
9 53 1 0 0 0 0
10 26 1 0 0 0 0
10 54 1 0 0 0 0
11 13 1 0 0 0 0
11 15 1 0 0 0 0
12 14 1 0 0 0 0
12 16 1 0 0 0 0
13 14 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 19 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 20 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 21 2 0 0 0 0
17 23 1 0 0 0 0
18 22 2 0 0 0 0
18 24 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 25 2 0 0 0 0
23 45 1 0 0 0 0
24 26 2 0 0 0 0
24 46 1 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
27 29 2 0 0 0 0
27 47 1 0 0 0 0
28 30 2 0 0 0 0
28 48 1 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$