B49IBW
-OEChem-04022104582D
45 48 0 1 0 0 0 0 0999 V2000
6.3301 -5.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 2 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
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 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 -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
7.1962 -2.7500 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
3.7320 2.2500 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 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 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
6.3301 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.5600 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
5.2520 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 9 1 0 0 0 0
2 12 1 0 0 0 0
3 17 2 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
5 13 1 0 0 0 0
5 17 1 0 0 0 0
5 19 1 0 0 0 0
6 13 2 0 0 0 0
6 18 1 0 0 0 0
7 24 2 0 0 0 0
7 27 1 0 0 0 0
8 26 1 0 0 0 0
8 27 2 0 0 0 0
9 10 1 0 0 0 0
9 14 1 1 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 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
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 21 1 0 0 0 0
15 35 1 0 0 0 0
16 22 2 0 0 0 0
16 36 1 0 0 0 0
17 20 1 0 0 0 0
18 20 2 0 0 0 0
18 24 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 23 2 0 0 0 0
21 41 1 0 0 0 0
22 23 1 0 0 0 0
22 42 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
$$$$