BJ72WC
-OEChem-04012113333D
22 22 0 0 0 0 0 0 0999 V2000
-1.0102 -2.1911 -0.8210 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8997 0.3178 -1.3857 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3192 -1.0699 0.2419 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5387 1.0766 0.5550 F 0 0 0 0 0 0 0 0 0 0 0 0
0.5125 0.4617 -0.7108 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 0.0874 1.5530 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8121 0.5510 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6413 -0.5708 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3344 1.8023 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9925 -0.4410 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 1.9319 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 0.8103 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 0.2163 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7687 0.1359 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 -3.1182 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 2.6815 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6618 -1.2977 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0923 2.9064 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5672 0.9119 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4403 -3.2230 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9213 -2.6149 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9269 -4.1174 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 14 1 0 0 0 0
3 14 1 0 0 0 0
4 14 1 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
6 13 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 2 0 0 0 0
9 11 1 0 0 0 0
9 16 1 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
11 12 2 0 0 0 0
11 18 1 0 0 0 0
12 19 1 0 0 0 0
13 14 1 0 0 0 0
15 20 1 0 0 0 0
15 21 1 0 0 0 0
15 22 1 0 0 0 0
M END
$$$$