BY3CR2
-OEChem-04022100202D
35 36 0 1 0 0 0 0 0999 V2000
7.3659 -0.6496 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.9840 0.5260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.2788 1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3479 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5878 -1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5878 0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5388 0.1639 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.5000 -1.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5388 -0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3479 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2614 0.3449 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0704 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3923 -1.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 -1.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 0.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3923 1.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0508 -1.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8400 -1.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4418 0.7762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9174 -1.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 -1.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 1.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9174 0.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5250 0.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5250 -0.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6946 1.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9019 1.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7598 -0.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4171 1.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6244 1.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 17 1 0 0 0 0
3 9 2 0 0 0 0
4 13 2 0 0 0 0
5 6 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 11 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 12 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 13 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
10 13 1 0 0 0 0
10 15 1 0 0 0 0
10 24 1 0 0 0 0
11 14 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 14 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 16 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 17 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
M END
$$$$