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cdk2_1oir_LIG
ChemPy 3D 0
31 34 0 0 0 0 0 0 0 0999 V2000
1.6489 -1.4983 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8173 -2.6233 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3653 -3.8980 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 -4.0778 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 -2.9549 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9661 -1.7033 -0.0531 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0802 -0.7853 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9045 -2.9081 0.2710 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2892 -1.6372 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7163 -1.1814 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9767 0.6708 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0754 1.4757 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8617 2.8479 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6221 3.3279 -0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5571 2.5250 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7519 1.2047 -0.0561 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3298 3.0774 0.0076 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1147 2.4863 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9621 3.0780 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 2.5752 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5193 1.4472 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4431 0.8612 1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1332 1.3636 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8164 0.9487 0.5945 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6961 0.3016 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1753 0.5422 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9622 -0.7398 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3176 -1.6059 -0.7641 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0766 -3.0093 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7519 -1.5224 -1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2412 1.4117 1.1621 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
5 8 2 0
6 7 1 0
7 9 2 0
7 11 1 0
8 9 1 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 2 0
18 23 1 0
19 20 1 0
20 21 2 0
21 22 1 0
21 24 1 0
22 23 2 0
24 25 1 0
25 26 1 0
26 27 1 0
26 31 1 0
27 28 1 0
28 29 1 0
28 30 1 0
M END
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