BTJ51W
-OEChem-04012113072D
38 38 0 0 0 0 0 0 0999 V2000
8.0622 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2803 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0403 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 10 1 0 0 0 0
2 6 1 0 0 0 0
2 8 1 0 0 0 0
3 12 1 0 0 0 0
3 17 1 0 0 0 0
4 17 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 11 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 14 2 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
14 33 1 0 0 0 0
15 16 2 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
M END
$$$$