D0K0OR
-OEChem-10101305022D
40 41 0 0 0 0 0 0 0999 V2000
3.2733 -2.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 -1.1757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -4.2146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6324 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0392 3.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4514 4.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8581 5.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 -2.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -4.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -5.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -5.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -5.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7342 1.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1184 3.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2017 2.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2995 1.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 0.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 3.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 4.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 0.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8320 0.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 5.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0207 4.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4245 5.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1103 6.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 5.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4810 -2.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -3.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -5.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -5.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -6.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
2 11 2 0 0 0 0
3 13 2 0 0 0 0
3 15 1 0 0 0 0
4 16 1 0 0 0 0
4 19 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 11 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 36 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
17 37 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 20 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
M END
$$$$