B5K8LQ
-OEChem-04022107032D
38 41 0 0 0 0 0 0 0999 V2000
4.5106 -1.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9423 -2.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9002 -2.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2538 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 1.9157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 -0.6364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 2.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -1.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -1.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 1.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 2.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 3.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 3.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 2.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -1.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 2.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 0.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7090 -0.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5072 -2.8668 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 26 1 0 0 0 0
4 38 1 0 0 0 0
5 26 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 37 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 17 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 18 1 0 0 0 0
16 22 2 0 0 0 0
16 27 1 0 0 0 0
17 23 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 28 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
20 24 1 0 0 0 0
20 33 1 0 0 0 0
21 22 1 0 0 0 0
22 34 1 0 0 0 0
23 24 2 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
25 26 1 0 0 0 0
M END
$$$$