D06XYZ
-OEChem-10101305022D
39 42 0 0 0 0 0 0 0999 V2000
4.6660 2.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4144 2.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 2.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -0.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 1.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 -3.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 -1.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 -2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2030 -0.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -0.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 -0.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3369 -2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 -0.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3843 3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9478 3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9340 -3.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5310 -1.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5310 -2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 14 1 0 0 0 0
3 36 1 0 0 0 0
4 15 1 0 0 0 0
4 35 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 11 1 0 0 0 0
5 26 1 0 0 0 0
6 9 2 0 0 0 0
6 12 1 0 0 0 0
7 8 2 0 0 0 0
7 13 1 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
11 16 1 0 0 0 0
12 18 2 0 0 0 0
12 28 1 0 0 0 0
13 17 2 0 0 0 0
13 27 1 0 0 0 0
14 19 2 0 0 0 0
15 20 2 0 0 0 0
16 21 2 0 0 0 0
16 22 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 19 1 0 0 0 0
18 30 1 0 0 0 0
19 32 1 0 0 0 0
20 31 1 0 0 0 0
21 23 1 0 0 0 0
21 33 1 0 0 0 0
22 24 2 0 0 0 0
22 34 1 0 0 0 0
23 25 2 0 0 0 0
23 37 1 0 0 0 0
24 25 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
M END
$$$$