BA9RY1
-OEChem-04012114442D
43 46 0 0 0 0 0 0 0999 V2000
8.7327 1.7408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1755 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -1.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5920 -0.8245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2706 1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3219 2.5488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 -2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 -2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0084 -0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3191 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2724 2.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0824 2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -0.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1592 -2.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3862 -3.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2331 -3.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1592 -3.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0062 -3.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2331 -2.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4460 2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5846 3.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7189 3.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 19 1 0 0 0 0
2 25 1 0 0 0 0
3 17 2 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
4 17 1 0 0 0 0
5 11 1 0 0 0 0
5 13 1 0 0 0 0
5 16 1 0 0 0 0
6 7 1 0 0 0 0
6 11 2 0 0 0 0
7 16 2 0 0 0 0
8 19 2 0 0 0 0
8 24 1 0 0 0 0
9 24 2 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 15 1 0 0 0 0
12 13 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
20 22 1 0 0 0 0
20 37 1 0 0 0 0
21 23 2 0 0 0 0
21 38 1 0 0 0 0
22 25 2 0 0 0 0
22 39 1 0 0 0 0
23 25 1 0 0 0 0
23 40 1 0 0 0 0
24 26 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$