BWI25B
-OEChem-04042104573D
28 28 0 1 0 0 0 0 0999 V2000
-2.1698 0.3322 -0.1184 P 0 0 0 0 0 0 0 0 0 0 0 0
-3.4887 -0.4809 0.3456 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1386 1.5873 0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1388 0.7137 -1.5696 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2062 -1.9905 -0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -0.2907 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9745 1.1135 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6257 -1.3274 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7990 -0.6715 0.4193 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3585 1.4961 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0087 -0.9407 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4098 0.4590 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4925 -0.2696 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9716 1.1637 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2585 1.8602 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3757 -2.3161 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6672 -1.4275 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7606 -0.6834 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6445 2.4754 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3238 1.5951 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0119 -0.9831 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7502 -1.6678 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3740 0.7296 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5472 0.4632 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1175 -2.2329 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3019 -2.0019 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3723 -0.1210 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7799 2.3183 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 9 1 0 0 0 0
2 27 1 0 0 0 0
3 28 1 0 0 0 0
5 9 1 0 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 13 1 0 0 0 0
7 10 1 0 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
8 11 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
9 18 1 0 0 0 0
10 12 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 12 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
M END
$$$$