B9TBA7
-OEChem-04012112552D
41 40 0 0 0 0 0 0 0999 V2000
7.4040 4.7200 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0
1.4030 5.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 6.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 5.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 8.5369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.1350 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 9.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5010 9.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5010 7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1771 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 9.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5571 9.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0380 9.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1910 9.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9641 9.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 7.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8110 7.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0380 7.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3471 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7456 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6150 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0135 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 11 1 0 0 0 0
2 14 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
4 11 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 10 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 19 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
16 18 2 0 0 0 0
16 36 1 0 0 0 0
17 37 1 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
M CHG 2 1 -1 5 1
M END
$$$$