B5JP4S
-OEChem-04022105052D
49 50 0 1 0 0 0 0 0999 V2000
2.0000 -0.2306 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
6.3021 -3.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.7306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.8712 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2532 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5098 -2.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4376 -3.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1812 -2.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4974 -4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1686 -4.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9557 -4.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6270 -4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 3.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9501 4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7101 4.2694 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 14 1 0 0 0 0
12 13 1 0 0 0 0
12 36 1 0 0 0 0
13 15 2 0 0 0 0
13 18 1 0 0 0 0
14 16 2 0 0 0 0
14 37 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
16 38 1 0 0 0 0
17 19 1 0 0 0 0
17 22 1 0 0 0 0
17 39 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
20 23 1 0 0 0 0
20 43 1 0 0 0 0
21 24 2 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
$$$$