13838
  -OEChem-04172423453D

 28 27  0     0  0  0  0  0  0999 V2000
    1.4695   -0.0146   -0.0998 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    0.0130   -0.1344 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075   -0.0788   -0.9407 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8245    0.2753   -1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5304    1.4332    1.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884   -1.5990    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594   -1.6499    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706    1.3345    1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723    0.2864   -1.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067   -0.8096   -1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    1.2096   -1.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    0.3372   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -0.5463   -2.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    1.6657    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948    2.3410    0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    1.2050    2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545   -2.4673    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305   -1.5849    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599   -1.7329    1.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -2.4775    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -1.7706    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7799   -1.7116    1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9595    1.0061    2.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703    2.2847    0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046    1.5364    1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889    1.2444   -1.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0403   -0.5055   -2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9045    0.2918   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13838

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
10
1 0.59
10 0.36
2 0.59
3 -1.05
4 -0.08
5 -0.08
6 -0.08
7 -0.08
8 -0.08
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
0000360E00000001

> <PUBCHEM_MMFF94_ENERGY>
11.2346

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 12919674562120464142
12897270 3 17895482530350528542
12932741 1 18341331201057664333
12932764 1 18411976992438470959
14817 1 16684650796138322074
15310529 11 17167869668409036555
15775835 57 18041006132634007343
16945 1 18413389834446074881
18186145 218 18342163458978722517
20082192 1 17603301561543630282
20653085 51 17168701913049398157
20653091 64 18272644645588970576
20711985 344 17988090962926646880
21922407 69 17968672604042894984
23235687 12 16805868671814182990
23552423 10 18201433726775194033
3248919 1 18412270501845018702
5084963 1 18189884327845746159
8030462 33 18341613698236610892

> <PUBCHEM_SHAPE_MULTIPOLES>
216.66
4.17
1.61
1.49
0.22
0.34
-0.15
-0.03
-1.24
-0.05
0.76
-0.07
-0.27
-0.03

> <PUBCHEM_SHAPE_SELFOVERLAP>
361.018

> <PUBCHEM_SHAPE_VOLUME>
148.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$