B4BW2M
-OEChem-04022104592D
49 51 0 0 0 0 0 0 0999 V2000
4.5981 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 C 0 0 0 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
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 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
4.5981 -2.2500 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 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.2500 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
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6822 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4422 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 16 2 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 37 1 0 0 0 0
4 16 1 0 0 0 0
4 19 1 0 0 0 0
4 42 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 11 1 0 0 0 0
5 26 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 10 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 39 1 0 0 0 0
17 18 2 0 0 0 0
17 40 1 0 0 0 0
18 41 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 43 1 0 0 0 0
21 24 2 0 0 0 0
21 44 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
25 49 1 0 0 0 0
M END
$$$$