BUMF54
-OEChem-04022105032D
38 38 0 1 0 0 0 0 0999 V2000
3.1014 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 4.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9338 8.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 9.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 3.6806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9338 6.1806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 8.1806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 4.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2018 5.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 3.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 3.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9338 5.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 5.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 3.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 6.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5357 4.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 3.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 6.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6047 4.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6003 5.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 5.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 2.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6003 2.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6047 3.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 5.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 2.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3969 6.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 6.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3559 5.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2028 5.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9759 6.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2028 7.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2028 9.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1014 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 38 1 0 0 0 0
2 13 2 0 0 0 0
3 20 2 0 0 0 0
4 7 1 0 0 0 0
4 37 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
5 26 1 0 0 0 0
6 13 1 0 0 0 0
16 6 1 6 0 0 0
6 29 1 0 0 0 0
7 20 1 0 0 0 0
7 36 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 1 0 0 0
8 21 1 0 0 0 0
9 10 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 12 1 0 0 0 0
10 14 2 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 15 2 0 0 0 0
14 17 1 0 0 0 0
14 27 1 0 0 0 0
15 18 1 0 0 0 0
15 28 1 0 0 0 0
16 19 1 0 0 0 0
16 20 1 0 0 0 0
16 30 1 0 0 0 0
17 18 2 0 0 0 0
17 31 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
M END
$$$$