D0RD5W
-OEChem-10101305022D
44 46 0 1 0 0 0 0 0999 V2000
6.3301 -1.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1671 2.2695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 0.3209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9037 1.2868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4768 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7356 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1097 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3007 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 3.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4249 -0.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1237 2.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2648 -1.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0681 -0.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3269 0.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9477 1.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7720 -1.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5704 -1.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1984 1.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6810 0.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6762 -0.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2040 3.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3571 3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -2.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -1.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 13 1 0 0 0 0
2 13 2 0 0 0 0
3 16 1 0 0 0 0
3 41 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
5 22 1 1 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 23 1 6 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 36 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 19 1 0 0 0 0
17 39 1 0 0 0 0
18 20 2 0 0 0 0
18 40 1 0 0 0 0
19 21 2 0 0 0 0
19 42 1 0 0 0 0
20 21 1 0 0 0 0
20 43 1 0 0 0 0
21 44 1 0 0 0 0
M END
$$$$