B3DCW5
-OEChem-04012113312D
51 52 0 1 0 0 0 0 0999 V2000
11.5263 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6603 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1836 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5822 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7383 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1369 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5822 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1836 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1369 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7383 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0588 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2617 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2573 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2573 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
3 38 1 0 0 0 0
10 4 1 1 0 0 0
4 41 1 0 0 0 0
4 42 1 0 0 0 0
5 7 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 9 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 9 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 16 1 0 0 0 0
15 43 1 0 0 0 0
15 44 1 0 0 0 0
16 17 1 0 0 0 0
16 45 1 0 0 0 0
16 46 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 47 1 0 0 0 0
19 21 2 0 0 0 0
19 48 1 0 0 0 0
20 22 2 0 0 0 0
20 49 1 0 0 0 0
21 22 1 0 0 0 0
21 50 1 0 0 0 0
22 51 1 0 0 0 0
M END
$$$$