BND25B
-OEChem-04022116363D
43 45 0 0 0 0 0 0 0999 V2000
2.6075 1.7426 0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8060 0.9181 -0.2248 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1368 1.1275 0.2846 O 0 5 0 0 0 0 0 0 0 0 0 0
-5.7683 0.5149 -1.7909 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7072 -0.0969 -0.2568 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 -1.2551 0.4878 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5647 0.3950 -0.5585 N 0 3 0 0 0 0 0 0 0 0 0 0
5.3974 -1.5198 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0858 0.0381 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6655 -2.1937 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7756 -1.1712 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7822 0.7466 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4850 0.9291 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 1.5380 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7804 1.0959 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3794 1.7719 1.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5871 0.8876 -1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 1.5637 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 1.1214 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3079 -0.3409 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6593 -0.5997 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1174 -1.8789 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2227 -2.8467 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8909 -2.4874 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2206 -1.8031 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5307 -1.8233 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5461 0.9746 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1470 -0.0154 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 -2.4269 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8624 -3.1288 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5605 -1.5613 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2376 -0.9109 -1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5858 0.3675 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 1.7452 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6799 1.4200 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0436 -0.0590 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 0.9292 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 2.1163 2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9579 0.5500 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6713 1.7490 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1679 -2.1355 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5572 -3.8504 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1528 -3.2054 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
2 19 1 0 0 0 0
2 20 1 0 0 0 0
3 7 1 0 0 0 0
4 7 2 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
6 20 1 0 0 0 0
6 24 2 0 0 0 0
7 21 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 11 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 13 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 37 1 0 0 0 0
16 18 2 0 0 0 0
16 38 1 0 0 0 0
17 19 2 0 0 0 0
17 39 1 0 0 0 0
18 19 1 0 0 0 0
18 40 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 24 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
M CHG 2 3 -1 7 1
M END
$$$$