B5SAC9
-OEChem-04022117453D
25 26 0 0 0 0 0 0 0999 V2000
-4.9476 1.7298 -0.0123 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.4590 -2.5696 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0155 1.5126 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1996 0.9019 -0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5080 -0.5190 0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2878 1.4941 -0.0096 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1036 -0.6001 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -0.7181 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0424 -1.2949 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3919 -1.3441 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0401 0.8862 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 -0.4798 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0130 -0.4222 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5178 0.8632 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3146 0.0670 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2964 0.1242 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9472 0.3687 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0365 -2.3827 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5492 -0.7108 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5167 -0.6083 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4133 -0.9807 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2972 2.5103 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8107 0.2530 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7840 0.3575 2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4964 1.0034 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 10 2 0 0 0 0
3 11 2 0 0 0 0
4 17 1 0 0 0 0
4 25 1 0 0 0 0
5 10 1 0 0 0 0
5 14 1 0 0 0 0
5 21 1 0 0 0 0
6 11 1 0 0 0 0
6 14 1 0 0 0 0
6 22 1 0 0 0 0
7 9 2 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 18 1 0 0 0 0
12 15 1 0 0 0 0
12 19 1 0 0 0 0
13 16 2 0 0 0 0
13 20 1 0 0 0 0
15 17 2 0 0 0 0
15 23 1 0 0 0 0
16 17 1 0 0 0 0
16 24 1 0 0 0 0
M END
$$$$