B50KDA
-OEChem-04012112352D
54 54 0 0 0 0 0 0 0999 V2000
10.0869 5.4212 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0
3.2018 8.0369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.2018 11.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9338 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9338 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 8.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9338 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 10.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5319 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 8.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 9.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5444 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1459 5.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8557 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3232 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7218 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6784 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2798 7.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4104 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0119 4.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5912 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9897 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1893 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5878 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8779 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0553 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4538 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6047 9.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 7.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6238 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4708 7.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2438 8.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 10.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2219 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0688 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8419 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 8.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7387 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6648 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 9 1 0 0 0 0
2 12 1 0 0 0 0
2 13 2 0 0 0 0
3 17 1 0 0 0 0
3 53 1 0 0 0 0
3 54 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 24 1 0 0 0 0
4 25 1 0 0 0 0
5 7 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 8 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 10 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 11 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 15 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
12 14 1 0 0 0 0
12 18 2 0 0 0 0
13 16 1 0 0 0 0
13 19 1 0 0 0 0
14 17 1 0 0 0 0
14 20 2 0 0 0 0
15 21 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 17 2 0 0 0 0
16 42 1 0 0 0 0
18 22 1 0 0 0 0
18 43 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 23 1 0 0 0 0
20 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
21 50 1 0 0 0 0
22 23 2 0 0 0 0
22 51 1 0 0 0 0
23 52 1 0 0 0 0
M CHG 2 1 -1 2 1
M END
$$$$