BPE8B3
-OEChem-04022108422D
65 68 0 0 0 0 0 0 0999 V2000
11.4881 -4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.3784 0.4067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.4881 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0240 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4881 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4881 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 -2.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1580 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1874 -0.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8900 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7560 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8900 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -3.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6221 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8900 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7560 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6221 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -3.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2092 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6221 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4881 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4881 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0240 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3541 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6221 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2919 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3541 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6221 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7092 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6221 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4881 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4881 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7560 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8900 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3580 -3.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0028 -3.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3531 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 -2.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4041 -2.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1590 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -2.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8052 -3.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7560 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4436 -1.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8910 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0851 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8910 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0851 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 -3.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 -4.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5664 -4.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1580 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0926 -0.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1590 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1781 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0250 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7981 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4881 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1081 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7560 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3531 4.8100 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 23 1 0 0 0 0
1 35 1 0 0 0 0
2 28 1 0 0 0 0
2 32 1 0 0 0 0
3 14 1 0 0 0 0
3 24 1 0 0 0 0
4 25 2 0 0 0 0
7 13 1 0 0 0 0
7 18 1 0 0 0 0
7 47 1 0 0 0 0
8 25 1 0 0 0 0
8 28 1 0 0 0 0
8 55 1 0 0 0 0
9 21 1 0 0 0 0
9 28 2 0 0 0 0
10 16 1 0 0 0 0
10 37 2 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
11 17 1 0 0 0 0
12 15 1 0 0 0 0
12 20 2 0 0 0 0
12 25 1 0 0 0 0
13 19 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 17 2 0 0 0 0
14 20 1 0 0 0 0
15 40 1 0 0 0 0
16 22 2 0 0 0 0
17 43 1 0 0 0 0
18 21 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 31 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 46 1 0 0 0 0
21 32 2 0 0 0 0
22 33 1 0 0 0 0
22 34 1 0 0 0 0
23 26 2 0 0 0 0
23 27 1 0 0 0 0
24 29 2 0 0 0 0
24 30 1 0 0 0 0
26 29 1 0 0 0 0
26 48 1 0 0 0 0
27 30 2 0 0 0 0
27 49 1 0 0 0 0
29 50 1 0 0 0 0
30 51 1 0 0 0 0
31 52 1 0 0 0 0
31 53 1 0 0 0 0
31 54 1 0 0 0 0
32 56 1 0 0 0 0
33 36 2 0 0 0 0
33 57 1 0 0 0 0
34 58 1 0 0 0 0
34 59 1 0 0 0 0
34 60 1 0 0 0 0
35 61 1 0 0 0 0
35 62 1 0 0 0 0
35 63 1 0 0 0 0
36 37 1 0 0 0 0
36 64 1 0 0 0 0
37 65 1 0 0 0 0
M END
$$$$