B4Y5RQ
-OEChem-04012112162D
28 28 0 1 0 0 0 0 0999 V2000
6.2353 1.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7000 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 1.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2320 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 0.9143 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
4.6740 0.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1672 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2969 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6256 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3566 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8249 1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2897 -0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 27 1 0 0 0 0
2 13 1 0 0 0 0
2 28 1 0 0 0 0
3 10 2 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
11 5 1 1 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 7 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 6 0 0 0
7 8 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
8 9 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
9 19 1 0 0 0 0
9 20 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 21 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
M END
$$$$