B9KVP1
-OEChem-04022107032D
47 50 0 0 0 0 0 0 0999 V2000
4.5106 -0.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9423 -1.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1918 -3.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5454 -1.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 2.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 -0.0206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 1.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 1.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 0.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 2.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 2.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 2.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9002 -2.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8792 -2.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1708 -3.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -0.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 3.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 3.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 4.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 0.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -1.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 2.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 1.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7090 0.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2012 -1.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6068 -0.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2866 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8810 -2.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0442 -4.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7777 -3.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2973 -2.8756 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 28 1 0 0 0 0
4 29 1 0 0 0 0
5 28 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 20 1 0 0 0 0
7 25 1 0 0 0 0
7 40 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 12 2 0 0 0 0
10 16 1 0 0 0 0
11 13 1 0 0 0 0
11 18 2 0 0 0 0
12 15 1 0 0 0 0
12 17 1 0 0 0 0
13 14 1 0 0 0 0
13 21 2 0 0 0 0
16 22 2 0 0 0 0
16 30 1 0 0 0 0
17 20 2 0 0 0 0
17 31 1 0 0 0 0
18 23 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
20 22 1 0 0 0 0
21 24 1 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
23 24 2 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 41 1 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
27 44 1 0 0 0 0
29 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
M END
$$$$