B71DKV
-OEChem-04012115123D
55 59 0 1 0 0 0 0 0999 V2000
-5.8162 -0.4924 -2.1366 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.8459 2.9920 1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2847 0.4309 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8052 2.6560 -0.5788 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0496 -0.9960 0.1323 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2492 -3.1789 0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2213 -2.6196 -0.7878 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6276 -2.5425 -1.1064 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6787 4.3683 1.1107 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3779 -2.3382 1.5250 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5602 -2.1981 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0567 -2.3834 0.8364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6592 -3.4994 2.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8901 -1.3911 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0969 -1.3121 -0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2375 -3.4162 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1372 -1.4297 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6510 0.3033 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3085 1.3444 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 -2.4754 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4771 -3.4544 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7891 -0.2278 -1.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4248 1.0386 -1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1088 -0.4440 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8784 2.7217 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3306 -0.5106 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5380 -1.5712 -0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4077 3.8936 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6225 4.8855 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5126 0.2806 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7405 6.3454 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4294 1.4396 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6129 3.7813 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3946 -1.4494 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 -4.4652 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8654 -3.5627 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6127 -3.3501 3.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 -0.5790 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4815 -4.2059 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 0.4302 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6834 -4.2745 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9680 1.8556 -1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.3796 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4508 -1.7278 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2339 4.0297 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0113 -0.6533 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3143 0.3064 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9418 6.8149 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8157 6.7709 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5565 6.6145 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3857 1.3273 -0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6071 1.4653 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0888 4.6837 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5715 3.7255 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7772 3.8445 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 9 1 0 0 0 0
2 25 1 0 0 0 0
3 26 1 0 0 0 0
3 30 1 0 0 0 0
4 32 1 0 0 0 0
4 33 1 0 0 0 0
5 11 1 0 0 0 0
5 15 1 0 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 11 2 0 0 0 0
7 15 2 0 0 0 0
8 20 2 0 0 0 0
8 27 1 0 0 0 0
9 29 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 34 1 0 0 0 0
12 14 2 0 0 0 0
12 16 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 17 1 0 0 0 0
14 38 1 0 0 0 0
15 22 1 0 0 0 0
16 21 2 0 0 0 0
16 39 1 0 0 0 0
17 20 1 0 0 0 0
17 24 2 0 0 0 0
18 19 2 0 0 0 0
18 40 1 0 0 0 0
19 23 1 0 0 0 0
19 25 1 0 0 0 0
20 21 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
23 42 1 0 0 0 0
24 26 1 0 0 0 0
24 43 1 0 0 0 0
25 28 2 0 0 0 0
26 27 2 0 0 0 0
27 44 1 0 0 0 0
28 29 1 0 0 0 0
28 45 1 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
30 46 1 0 0 0 0
30 47 1 0 0 0 0
31 48 1 0 0 0 0
31 49 1 0 0 0 0
31 50 1 0 0 0 0
32 51 1 0 0 0 0
32 52 1 0 0 0 0
33 53 1 0 0 0 0
33 54 1 0 0 0 0
33 55 1 0 0 0 0
M END
$$$$