B2BC7E
-OEChem-04012113143D
37 39 0 0 0 0 0 0 0999 V2000
4.5172 0.1051 -0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0
5.1308 -0.6198 -1.1806 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6570 1.5527 0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 -1.2756 0.0366 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4581 -1.0551 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9597 3.1237 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1074 -0.9531 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3096 -0.4168 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8197 -0.3020 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7525 -2.5471 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0246 -1.8332 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5463 0.2526 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1178 -2.3835 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 -1.5077 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9024 0.5783 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 1.0224 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1585 -3.4213 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1612 -0.5624 1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1113 1.6752 -1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0907 1.7781 1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 3.0589 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 3.7306 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1404 -3.4377 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7183 -2.7728 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 0.9057 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0777 -2.2094 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 1.5018 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8114 -3.3545 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7243 -4.4258 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7735 -3.2968 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0018 -1.6423 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2304 -0.3438 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6526 -0.0877 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 1.1242 -2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1506 1.3261 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9284 3.5945 -2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8005 4.8100 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 9 1 0 0 0 0
1 18 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
5 8 2 0 0 0 0
5 13 1 0 0 0 0
6 20 1 0 0 0 0
6 22 2 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 16 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 13 2 0 0 0 0
10 23 1 0 0 0 0
11 14 1 0 0 0 0
11 24 1 0 0 0 0
12 15 2 0 0 0 0
12 25 1 0 0 0 0
13 17 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 20 2 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 21 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 22 1 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
M END
$$$$