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cdk2_1oir_LIG
RDKit 3D
31 34 0 0 1 0 0 0 0 0999 V2000
-1.6489 1.4983 0.2203 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 2 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 6
27 28 1 0
28 29 1 0
28 30 1 0
M END
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