BX0KW4
-OEChem-04012118492D
41 42 0 1 0 0 0 0 0999 V2000
7.1962 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7101 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9501 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 16 1 0 0 0 0
2 19 1 0 0 0 0
3 17 1 0 0 0 0
3 20 1 0 0 0 0
4 18 1 0 0 0 0
4 21 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 15 3 0 0 0 0
7 10 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 11 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 12 1 0 0 0 0
9 15 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 17 1 0 0 0 0
13 31 1 0 0 0 0
14 16 2 0 0 0 0
14 32 1 0 0 0 0
16 18 1 0 0 0 0
17 18 2 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
20 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
M END
$$$$