B42TRG
-OEChem-04012119242D
28 28 0 1 0 0 0 0 0999 V2000
6.0010 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6382 1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1030 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9440 1.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6350 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6350 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3260 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.8644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8951 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0410 0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2415 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5702 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0286 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7596 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0160 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2279 1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 13 1 0 0 0 0
2 27 1 0 0 0 0
3 13 2 0 0 0 0
4 14 1 0 0 0 0
4 28 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
12 6 1 1 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 13 1 1 0 0 0
7 15 1 0 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
9 10 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
10 20 1 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
12 14 1 0 0 0 0
12 22 1 0 0 0 0
14 23 1 0 0 0 0
14 24 1 0 0 0 0
M END
$$$$