BY9I6F
-OEChem-04022105032D
49 50 0 1 0 0 0 0 0999 V2000
8.7788 -4.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
2.4612 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.0468 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.4782 -1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.3147 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 -0.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -1.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -1.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -1.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -2.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8472 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0502 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0888 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3158 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4688 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8008 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 10 2 0 0 0 0
3 22 1 0 0 0 0
4 22 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 10 1 0 0 0 0
5 27 1 0 0 0 0
6 7 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 11 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 10 1 0 0 0 0
9 34 1 0 0 0 0
9 35 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 17 1 0 0 0 0
13 16 2 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
14 18 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
18 22 1 0 0 0 0
18 39 1 0 0 0 0
19 23 1 0 0 0 0
19 40 1 0 0 0 0
20 24 2 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
23 25 2 0 0 0 0
23 45 1 0 0 0 0
24 25 1 0 0 0 0
24 46 1 0 0 0 0
25 26 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
26 49 1 0 0 0 0
M CHG 2 1 1 3 -1
M END
$$$$