BQT4K3
-OEChem-04022101342D
42 42 0 1 0 0 0 0 0999 V2000
4.3242 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 3.6172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 5.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8560 5.8724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 5.1172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5453 4.9219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.1289 4.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5453 3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 5.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8345 6.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1452 7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 6.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 5.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4558 7.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1578 5.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5898 3.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5898 4.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2943 2.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0827 3.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4419 6.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 5.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 2.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 3.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8551 5.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4483 5.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0044 4.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8015 4.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8890 6.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 6.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6490 6.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 5.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 4.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6484 8.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3242 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 42 1 0 0 0 0
2 17 2 0 0 0 0
3 13 1 0 0 0 0
3 17 1 0 0 0 0
4 6 1 0 0 0 0
4 15 1 0 0 0 0
4 27 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 22 1 0 0 0 0
7 8 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
11 13 2 0 0 0 0
11 28 1 0 0 0 0
12 14 2 0 0 0 0
12 29 1 0 0 0 0
13 14 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 21 3 0 0 0 0
18 20 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
M END
$$$$