B2R3UD
-OEChem-04022100592D
43 45 0 0 0 0 0 0 0999 V2000
8.9282 -3.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.0740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.8060 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 -4.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 10 1 0 0 0 0
1 15 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 31 1 0 0 0 0
8 13 1 0 0 0 0
8 14 2 0 0 0 0
9 13 2 0 0 0 0
9 21 1 0 0 0 0
10 42 1 0 0 0 0
10 43 1 0 0 0 0
11 13 1 0 0 0 0
11 17 2 0 0 0 0
11 18 1 0 0 0 0
12 16 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
14 22 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 23 2 0 0 0 0
16 24 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
18 20 2 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 22 2 0 0 0 0
21 25 1 0 0 0 0
22 36 1 0 0 0 0
23 26 1 0 0 0 0
23 37 1 0 0 0 0
24 27 2 0 0 0 0
24 38 1 0 0 0 0
26 28 2 0 0 0 0
26 39 1 0 0 0 0
27 28 1 0 0 0 0
27 40 1 0 0 0 0
28 41 1 0 0 0 0
M END
$$$$