B2XM1D
-OEChem-04012119242D
33 34 0 1 0 0 0 0 0999 V2000
4.2690 -2.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0486 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2395 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2177 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.3988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2690 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7386 0.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5502 1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1747 3.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6195 2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1326 1.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2193 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7841 3.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0261 3.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 -2.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 17 1 0 0 0 0
2 14 1 0 0 0 0
2 30 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 12 3 0 0 0 0
5 7 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 26 1 0 0 0 0
10 11 2 0 0 0 0
10 13 1 0 0 0 0
11 14 1 0 0 0 0
11 27 1 0 0 0 0
13 15 2 0 0 0 0
13 28 1 0 0 0 0
14 16 2 0 0 0 0
15 16 1 0 0 0 0
15 29 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
M END
$$$$