BGB15O
-OEChem-04042103283D
26 27 0 0 0 0 0 0 0999 V2000
2.2820 1.3051 -0.0287 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5123 -2.3596 0.0602 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.4374 0.3758 -0.0841 P 0 0 0 0 0 0 0 0 0 0 0 0
-5.1901 -0.6859 0.8827 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5093 1.7324 0.8009 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1036 0.5179 -1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5571 2.6372 -0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 0.3076 0.0142 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0518 -0.8555 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7373 -0.1016 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7302 -0.6241 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7162 -0.7096 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0729 -0.2472 1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0590 -0.3327 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 -1.2492 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4124 -0.4203 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8431 -0.8296 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0219 1.5393 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 -0.7342 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 -0.8867 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5940 -0.0691 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5670 -0.2220 -2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 -2.3264 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6430 0.2326 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1646 -0.6286 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3690 2.1975 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 18 1 0 0 0 0
2 17 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 2 0 0 0 0
3 10 1 0 0 0 0
4 25 1 0 0 0 0
5 26 1 0 0 0 0
7 18 2 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
8 24 1 0 0 0 0
9 11 2 0 0 0 0
9 12 1 0 0 0 0
9 15 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 13 1 0 0 0 0
11 19 1 0 0 0 0
12 14 2 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
15 16 2 0 0 0 0
15 23 1 0 0 0 0
16 17 1 0 0 0 0
M END
$$$$