B3Z2MD
-OEChem-04022105032D
46 47 0 1 0 0 0 0 0999 V2000
8.7788 -3.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
2.4612 1.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.0468 -2.7500 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 -0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.6567 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 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.7500 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 -1.2500 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
7.9128 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.7788 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 -0.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -1.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -0.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -1.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -1.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 0.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -0.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0888 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3158 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4688 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.3700 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 26 1 0 0 0 0
6 7 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 11 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
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 35 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 36 1 0 0 0 0
16 37 1 0 0 0 0
17 20 2 0 0 0 0
17 21 1 0 0 0 0
18 19 1 0 0 0 0
18 22 1 0 0 0 0
18 38 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 23 1 0 0 0 0
20 42 1 0 0 0 0
21 24 2 0 0 0 0
21 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 25 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M CHG 2 1 1 3 -1
M END
$$$$