B39DFE
-OEChem-04012116522D
46 49 0 1 0 0 0 0 0999 V2000
5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 -2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4690 0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4800 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
3 16 1 0 0 0 0
8 4 1 1 0 0 0
4 36 1 0 0 0 0
4 37 1 0 0 0 0
5 6 1 0 0 0 0
5 14 1 0 0 0 0
5 17 1 0 0 0 0
6 20 2 0 0 0 0
7 26 3 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 15 2 0 0 0 0
14 19 2 0 0 0 0
15 17 1 0 0 0 0
15 38 1 0 0 0 0
16 18 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
18 21 1 0 0 0 0
18 22 2 0 0 0 0
19 20 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
21 23 2 0 0 0 0
21 26 1 0 0 0 0
22 24 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
23 44 1 0 0 0 0
24 25 2 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M END
$$$$