B1TKH3
-OEChem-04022101162D
52 51 0 0 0 0 0 0 0999 V2000
6.8671 -0.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3933 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5273 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2594 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9914 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1254 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8574 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1316 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3346 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2006 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9976 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5957 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7987 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3967 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1938 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7919 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9948 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5273 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2594 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5929 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3899 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1254 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1674 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.3944 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5474 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 14 1 0 0 0 0
2 52 1 0 0 0 0
3 14 2 0 0 0 0
4 5 1 0 0 0 0
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4 23 1 0 0 0 0
4 24 1 0 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 14 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 11 2 0 0 0 0
9 33 1 0 0 0 0
10 11 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 36 1 0 0 0 0
12 15 2 0 0 0 0
12 39 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
15 40 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
17 18 2 0 0 0 0
17 43 1 0 0 0 0
18 44 1 0 0 0 0
19 21 2 0 0 0 0
19 45 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 46 1 0 0 0 0
20 47 1 0 0 0 0
21 48 1 0 0 0 0
22 49 1 0 0 0 0
22 50 1 0 0 0 0
22 51 1 0 0 0 0
M END
$$$$