B78WGS
-OEChem-04042103593D
41 43 0 1 0 0 0 0 0999 V2000
0.6361 0.7846 1.3330 S 0 0 0 0 0 0 0 0 0 0 0 0
4.9700 -0.8005 1.4242 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4096 -1.7067 0.0586 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4243 -2.5878 0.2996 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2066 -0.2665 -0.6439 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7663 1.6791 2.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2456 -0.5314 1.3582 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2988 -2.7710 -0.9974 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0470 -1.9426 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1079 1.5959 -0.0841 N 0 0 1 0 0 0 0 0 0 0 0 0
-5.1019 -0.0667 0.2129 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1886 0.8057 -1.3547 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5050 1.6839 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4617 2.9045 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6727 3.0936 -1.8697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6546 0.5412 -1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0894 0.5702 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -0.5802 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9994 1.5646 1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8892 -0.6872 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5798 -0.5508 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7943 0.2881 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3726 1.4294 1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6739 -1.7381 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1015 -1.4221 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1312 -1.2891 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6662 -0.1506 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 1.4372 -2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9194 1.5624 -3.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 3.7042 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6082 2.9102 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6867 3.4591 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0382 3.8001 -2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2166 1.4810 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7387 0.0189 -2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 -1.3630 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6514 2.4561 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1497 0.3842 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6908 -1.0703 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0689 2.1950 1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9102 0.5076 0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 10 1 0 0 0 0
1 17 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
5 16 1 0 0 0 0
5 21 1 0 0 0 0
8 24 2 0 0 0 0
9 26 2 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
11 22 1 0 0 0 0
11 26 1 0 0 0 0
11 41 1 0 0 0 0
12 13 1 0 0 0 0
12 16 1 0 0 0 0
12 27 1 0 0 0 0
13 15 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 23 2 0 0 0 0
19 37 1 0 0 0 0
20 22 2 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
22 23 1 0 0 0 0
23 40 1 0 0 0 0
24 26 1 0 0 0 0
M END
$$$$