BLCX58
-OEChem-04012116202D
43 47 0 1 0 0 0 0 0999 V2000
6.1794 0.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5472 0.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0946 -3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9782 -0.6911 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.8966 -1.6394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7872 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5962 -0.6911 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2872 -1.6422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.2872 -1.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5903 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9782 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5962 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2872 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8477 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 2.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 2.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2664 3.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3080 3.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0556 -2.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5908 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0066 -3.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5419 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7498 -2.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7885 -0.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0963 -2.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 -1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 -2.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8711 -0.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 -1.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 -1.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1325 2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4418 2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9543 3.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6200 3.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5948 -3.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4619 -0.6728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1356 -3.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0026 -1.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3394 -2.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 12 2 0 0 0 0
3 13 2 0 0 0 0
4 14 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
5 17 1 0 0 0 0
6 11 1 0 0 0 0
6 14 1 0 0 0 0
6 18 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
15 16 1 0 0 0 0
15 19 2 0 0 0 0
16 20 2 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 23 2 0 0 0 0
18 24 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
20 22 1 0 0 0 0
20 36 1 0 0 0 0
21 22 2 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 25 1 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 27 2 0 0 0 0
25 41 1 0 0 0 0
26 27 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$