BB7FE6
-OEChem-04022100402D
43 45 0 1 0 0 0 0 0999 V2000
11.1356 0.8496 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.4957 2.1108 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.2346 1.4709 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 -1.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4580 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1851 1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 24 1 0 0 0 0
5 25 1 0 0 0 0
6 28 1 0 0 0 0
7 19 2 0 0 0 0
8 13 1 0 0 0 0
8 15 1 0 0 0 0
8 19 1 0 0 0 0
9 14 1 0 0 0 0
9 16 1 0 0 0 0
9 21 1 0 0 0 0
10 12 1 0 0 0 0
10 16 2 0 0 0 0
18 11 1 6 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 21 2 0 0 0 0
13 14 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 16 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
18 20 1 0 0 0 0
18 37 1 0 0 0 0
20 22 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 23 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
25 27 2 0 0 0 0
26 28 2 0 0 0 0
26 42 1 0 0 0 0
27 28 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$