NMPC 472-6-hydroxy-4-pyrimidine carboxylic acid (135432441)
  -OEChem-11112300563D

 14 14  0     0  0  0  0  0  0999 V2000
   -2.6833   -1.3994   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399    0.7407    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3308   -1.5094    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152    0.8167    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772    1.4037   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430    0.0574   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3662   -0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8006   -0.5481    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    1.7194   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506   -0.3532   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282   -1.9847    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.1610    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085    2.7685   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    0.5080    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
135432441

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
14
1 -0.57
10 0.71
11 0.15
12 0.37
13 0.06
14 0.5
2 -0.65
3 -0.57
4 -0.49
5 -0.62
6 0.19
7 -0.14
8 0.62
9 0.45

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 1 acceptor
1 2 acceptor
1 3 acceptor
1 4 donor
3 2 3 10 anion
6 4 5 6 7 8 9 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_CONFORMER_ID>
081288F900000001

> <PUBCHEM_MMFF94_ENERGY>
22.0974

> <PUBCHEM_FEATURE_SELFOVERLAP>
30.501

> <PUBCHEM_SHAPE_FINGERPRINT>
10857977 72 18340194293160224184
12897270 3 18410576193038941526
14128692 85 18268154330031656933
16945 1 18338517572229594565
18185500 45 18267866266501332607
193761 8 14807975324651181604
19973954 147 18339644443105079148
20871998 184 18201719535431896487
21040471 1 17978229357242818656
23552423 10 18260270711522874302
2748010 2 18411135814123683134
29004967 10 18337393849955612706
369184 2 18410009892736755144
5084963 1 18199464376953545218

> <PUBCHEM_SHAPE_MULTIPOLES>
178.23
3.57
1.68
0.57
0.82
0.24
0
-0.93
0
-0.37
0
-0.01
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
375.476

> <PUBCHEM_SHAPE_VOLUME>
98.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
