BFQ4C3
-OEChem-04022107032D
41 44 0 0 0 0 0 0 0999 V2000
4.5106 -1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 2.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9423 -1.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8792 -2.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2339 -3.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 2.2490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 -0.3031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 1.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 2.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 2.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9002 -2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -1.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 1.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 2.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 3.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 3.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 3.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -0.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 2.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 0.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7090 0.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2012 -1.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6068 -0.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0730 -3.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 25 2 0 0 0 0
4 27 1 0 0 0 0
4 41 1 0 0 0 0
5 27 2 0 0 0 0
6 8 1 0 0 0 0
6 15 1 0 0 0 0
6 19 1 0 0 0 0
7 21 1 0 0 0 0
7 25 1 0 0 0 0
7 38 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 12 1 0 0 0 0
11 18 2 0 0 0 0
12 14 1 0 0 0 0
12 20 2 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
16 22 2 0 0 0 0
16 28 1 0 0 0 0
17 21 2 0 0 0 0
17 29 1 0 0 0 0
18 23 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 24 1 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
22 35 1 0 0 0 0
23 24 2 0 0 0 0
23 36 1 0 0 0 0
24 37 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$