B16KXF
-OEChem-04012113072D
38 40 0 1 0 0 0 0 0999 V2000
5.6103 2.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 1.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 -0.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.1232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9986 1.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6649 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8655 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6593 2.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 0.6430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2781 1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5371 0.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3622 0.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7949 3.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0756 2.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1167 1.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4555 1.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2760 2.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6603 3.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7748 0.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 1.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 0.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -1.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2420 0.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4427 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -2.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 10 1 0 0 0 0
9 3 1 1 0 0 0
3 32 1 0 0 0 0
3 33 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
4 34 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 14 1 0 0 0 0
13 16 2 0 0 0 0
14 17 2 0 0 0 0
15 31 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 19 2 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
M END
$$$$