B2KDC1
-OEChem-04012113202D
43 44 0 1 0 0 0 0 0999 V2000
10.3972 -0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2690 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1292 -0.5327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0010 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6270 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6270 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2651 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9972 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1254 -1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8613 -0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 1.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 0.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 -0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 -0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 1.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 1.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6199 -1.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6199 2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0688 1.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3975 0.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6005 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5054 -1.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1230 -2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7454 -1.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5492 -1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3970 -0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1733 -0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 17 1 0 0 0 0
2 17 2 0 0 0 0
3 5 1 0 0 0 0
3 14 1 0 0 0 0
3 29 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
11 13 2 0 0 0 0
11 30 1 0 0 0 0
12 15 2 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
16 21 3 0 0 0 0
18 20 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
19 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
M END
$$$$