B0R5AG
-OEChem-04012115182D
49 53 0 1 0 0 0 0 0999 V2000
4.0000 -1.3961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0680 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 0.3360 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.0000 2.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3959 -0.6640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 0.8360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6051 -1.6359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 0.3360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5000 1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.2020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5000 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.3360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5836 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5836 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5298 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5298 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3959 1.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9989 -0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5938 -1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0938 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3100 0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 1.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 1.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8800 1.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 -1.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -0.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0462 -0.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8346 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8346 1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0462 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3100 2.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3800 2.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3959 1.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 1.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6056 -0.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5568 -2.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4038 -3.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6307 -2.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 25 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
9 4 1 1 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
11 5 1 1 0 0 0
5 40 1 0 0 0 0
5 41 1 0 0 0 0
6 8 1 0 0 0 0
6 16 1 0 0 0 0
6 20 1 0 0 0 0
7 19 2 0 0 0 0
7 20 1 0 0 0 0
8 24 2 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 18 1 6 0 0 0
13 35 1 0 0 0 0
14 16 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 17 2 0 0 0 0
17 19 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 42 1 0 0 0 0
20 23 2 0 0 0 0
21 26 1 0 0 0 0
22 25 2 0 0 0 0
22 43 1 0 0 0 0
23 24 1 0 0 0 0
23 44 1 0 0 0 0
24 28 1 0 0 0 0
25 27 1 0 0 0 0
26 27 2 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$