BAL2J3
-OEChem-04012115202D
53 55 0 1 0 0 0 0 0999 V2000
2.8660 -0.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9545 1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4192 -0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 1.5694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 2.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5103 3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3193 3.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7013 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3582 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1013 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5661 0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0524 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5171 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2603 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2113 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 0.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2227 1.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 1.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4241 4.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5581 4.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 3.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6837 3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8209 4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9549 4.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3368 3.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 2.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0657 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9724 2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1053 -0.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5131 2.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6460 -0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5441 0.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 28 1 0 0 0 0
2 27 1 0 0 0 0
2 52 1 0 0 0 0
3 27 2 0 0 0 0
4 29 1 0 0 0 0
4 53 1 0 0 0 0
5 29 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 16 1 0 0 0 0
7 11 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 15 1 0 0 0 0
10 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 21 1 0 0 0 0
18 22 2 0 0 0 0
18 42 1 0 0 0 0
19 24 1 0 0 0 0
19 43 1 0 0 0 0
20 25 2 0 0 0 0
20 44 1 0 0 0 0
21 23 2 0 0 0 0
21 45 1 0 0 0 0
22 23 1 0 0 0 0
22 46 1 0 0 0 0
23 27 1 0 0 0 0
24 26 2 0 0 0 0
24 47 1 0 0 0 0
25 26 1 0 0 0 0
25 48 1 0 0 0 0
26 29 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$