6517
  -OEChem-04252411523D

 33 32  0     0  0  0  0  0  0999 V2000
    0.0005   -0.0009    0.0003 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.0558   -0.8630    0.9725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617   -1.0557   -0.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542    0.8609    0.9732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618    1.0541   -0.9725 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551   -1.6752    0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -2.0511   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517    1.6758    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744    2.0537   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.3411    1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439   -2.8652   -1.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654    2.3407    1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    2.8671   -1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936   -2.4482   -0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204   -1.0648   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729   -2.7170    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4528   -1.5860    0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5887    2.4495   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175    1.0678   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646    2.7193    0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480    1.5926    0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499   -2.9760    1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382   -1.5905    2.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271   -2.9547    2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9826   -3.6432   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -2.2227   -2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5925   -3.3380   -2.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6450    2.9777    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362    1.5894    2.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230    2.9519    2.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    3.6482   -1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523    2.2248   -2.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881    3.3359   -2.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6517

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
27
31
2
4
26
20
3
30
21
36
6
35
19
23
25
22
5
24
29
28
34
32
33
10
13
14
15
9
16
17
18
7
11
12
8

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 1.19
2 -0.58
3 -0.58
4 -0.58
5 -0.58
6 0.28
7 0.28
8 0.28
9 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
0000197500000001

> <PUBCHEM_MMFF94_ENERGY>
5.1299

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10219947 1 17834119645445411841
10756046 70 18336552590400553725
12423570 1 13105548097785998852
13380536 167 18411419539832068259
13380536 261 18124595533378051758
13380536 55 18336277841316527445
14943834 7 18410575114727849984
14993402 34 18194402178000524973
187816 3 17545887491209011628
20511035 2 18191046545959503977
20711985 344 17845102942210381063
20871998 184 17326605904571281892
21524375 3 18050041953551601257
22112679 90 18335696079870605742
228727 97 17979361089757408541
23402539 116 17764884880066427964
23419403 2 16031457408160641419
23526113 38 16828407844213612388
23558518 356 18048902954347479364
2748010 2 16609415282762449084
3060560 45 17981352009384911685
4369600 1 17549257485620858603
68419 9 18341898531835555389
6992083 37 18194390109137349778
81228 2 18051099580579081619

> <PUBCHEM_SHAPE_MULTIPOLES>
262.27
4.1
4.1
1.56
0
0.01
0
-0.01
0.62
0
-0.62
0
0
-3.71

> <PUBCHEM_SHAPE_SELFOVERLAP>
467.557

> <PUBCHEM_SHAPE_VOLUME>
171

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$