B4B2TU
-OEChem-04022105042D
27 29 0 0 0 0 0 0 0999 V2000
9.4758 0.7222 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.0053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.7157 1.0010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7157 2.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6668 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6668 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7369 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5241 3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1683 2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 13 1 0 0 0 0
3 18 1 0 0 0 0
4 14 1 0 0 0 0
4 19 1 0 0 0 0
5 20 1 0 0 0 0
5 27 1 0 0 0 0
6 20 2 0 0 0 0
7 11 1 0 0 0 0
7 17 2 0 0 0 0
8 14 2 0 0 0 0
8 17 1 0 0 0 0
9 11 2 0 0 0 0
9 14 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 12 1 0 0 0 0
12 21 1 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
15 22 1 0 0 0 0
16 18 2 0 0 0 0
16 23 1 0 0 0 0
17 24 1 0 0 0 0
19 20 1 0 0 0 0
19 25 1 0 0 0 0
19 26 1 0 0 0 0
M END
$$$$