BR58TI
-OEChem-04012113292D
54 56 0 0 0 0 0 0 0999 V2000
7.8347 -4.3874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 1.9604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.5158 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3347 1.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9170 1.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0257 0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3347 1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9225 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5048 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3238 0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4993 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0981 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7007 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9687 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0871 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6858 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7007 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9687 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6804 4.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 2.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3410 1.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1396 3.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4114 3.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7219 2.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9937 3.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 2.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 2.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1952 1.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9233 1.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 4.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 4.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 3.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7574 0.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5759 0.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8901 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7515 1.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4815 3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2377 -1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4318 -1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7037 3.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4337 4.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2377 -3.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4318 -3.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0448 4.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 29 1 0 0 0 0
2 12 1 0 0 0 0
2 14 1 0 0 0 0
3 16 2 0 0 0 0
4 7 1 0 0 0 0
4 14 1 0 0 0 0
4 16 1 0 0 0 0
5 16 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 14 2 0 0 0 0
6 15 1 0 0 0 0
7 15 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 12 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 13 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
15 17 1 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 24 1 0 0 0 0
20 46 1 0 0 0 0
21 25 2 0 0 0 0
21 47 1 0 0 0 0
22 26 1 0 0 0 0
22 48 1 0 0 0 0
23 27 2 0 0 0 0
23 49 1 0 0 0 0
24 28 2 0 0 0 0
24 50 1 0 0 0 0
25 28 1 0 0 0 0
25 51 1 0 0 0 0
26 29 2 0 0 0 0
26 52 1 0 0 0 0
27 29 1 0 0 0 0
27 53 1 0 0 0 0
28 54 1 0 0 0 0
M END
$$$$