BR2GD9
-OEChem-04012112582D
36 38 0 0 0 0 0 0 0999 V2000
3.8968 -2.9234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 4.2334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 4.0122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.6644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -3.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5590 0.7373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6569 1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7628 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0308 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4000 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8648 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3511 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8158 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7612 3.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2711 2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8118 2.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9448 -0.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3599 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4337 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 9 1 0 0 0 0
1 16 1 0 0 0 0
2 21 1 0 0 0 0
3 21 1 0 0 0 0
4 21 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
8 14 2 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 24 2 0 0 0 0
10 25 1 0 0 0 0
11 13 2 0 0 0 0
11 15 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 14 1 0 0 0 0
13 26 1 0 0 0 0
14 21 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 27 1 0 0 0 0
18 20 2 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
20 30 1 0 0 0 0
22 24 1 0 0 0 0
22 31 1 0 0 0 0
23 25 2 0 0 0 0
23 32 1 0 0 0 0
24 33 1 0 0 0 0
25 34 1 0 0 0 0
M END
$$$$