B85DGR
-OEChem-04022105423D
47 46 0 1 0 0 0 0 0999 V2000
1.3689 1.0689 1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3795 -2.1831 -1.2234 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4851 -3.5008 0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4862 -0.0766 0.0932 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2735 3.2185 -0.0928 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5637 -0.7928 -0.4133 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7583 0.1893 -0.7209 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6252 0.6922 0.7044 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8331 0.7864 -1.5634 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3614 1.8665 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8323 1.8885 -0.3267 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1833 -1.1201 0.8359 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9768 0.4876 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6194 -0.7433 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5028 0.5309 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2132 0.9405 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5322 -0.4717 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1133 -0.8518 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9301 -0.0623 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1147 -2.3995 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9902 0.5326 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7961 2.5890 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6487 2.1982 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 1.5839 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3943 -1.2979 1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -0.2428 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6941 0.1428 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5976 0.1491 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0564 -1.5515 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7801 0.9028 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9056 1.2402 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6021 -1.3650 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1091 0.3241 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3953 -0.0865 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8612 -1.2237 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 -1.5674 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3633 -0.8680 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8614 0.8433 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 3.8740 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 3.5575 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9429 -0.1201 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8070 -0.4384 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4072 -3.0079 -1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1501 0.5459 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6008 0.9660 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7997 1.0563 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5095 0.7106 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 20 1 0 0 0 0
2 43 1 0 0 0 0
3 20 2 0 0 0 0
4 12 1 0 0 0 0
4 16 1 0 0 0 0
4 34 1 0 0 0 0
5 11 1 0 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
6 18 1 0 0 0 0
6 41 1 0 0 0 0
6 42 1 0 0 0 0
7 19 1 0 0 0 0
7 21 2 0 0 0 0
8 21 1 0 0 0 0
8 44 1 0 0 0 0
8 45 1 0 0 0 0
9 21 1 0 0 0 0
9 46 1 0 0 0 0
9 47 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 16 1 0 0 0 0
11 24 1 0 0 0 0
12 14 1 0 0 0 0
12 20 1 0 0 0 0
12 25 1 0 0 0 0
13 15 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 17 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
15 18 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
M END
$$$$