BD2UY4
-OEChem-04022102322D
44 46 0 0 0 0 0 0 0999 V2000
6.3301 1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.2694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7320 -5.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7694 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.3871 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0052 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8207 4.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0771 3.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3152 3.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5716 4.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7610 5.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0897 5.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3026 5.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6313 5.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 2.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 2.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 2.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 2.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 13 1 0 0 0 0
2 16 1 0 0 0 0
2 19 1 0 0 0 0
3 6 1 0 0 0 0
4 6 2 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
6 22 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 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 17 1 0 0 0 0
14 37 1 0 0 0 0
15 18 2 0 0 0 0
15 38 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 39 1 0 0 0 0
18 40 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 23 1 0 0 0 0
20 41 1 0 0 0 0
21 24 2 0 0 0 0
21 42 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
M CHG 2 3 -1 6 1
M END
$$$$