64335548
  -OEChem-04192404033D

 17 17  0     0  0  0  0  0  0999 V2000
    0.3501    2.5222    0.2114 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1274   -0.3302    0.8220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8809   -0.2428    0.2760 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031    0.4692   -1.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205   -0.1718   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4712    1.0096    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4734   -1.3771   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -0.1962   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8568    0.9855    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588   -1.4012   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506   -0.2198    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -1.0476    0.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0495   -2.3062   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110    1.8969    0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3994   -2.3392   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394   -1.1280    1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6516   -2.0428    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
64335548

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
6
5
8
2
7
4
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
15
1 -0.18
10 -0.15
11 0.19
12 0.35
13 0.15
14 0.15
15 0.15
2 -0.29
3 -0.19
4 -0.57
5 0.09
6 0.18
7 -0.15
8 0.42
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 4 acceptor
6 5 6 7 9 10 11 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
2

> <PUBCHEM_CONFORMER_ID>
03D5AEBC00000001

> <PUBCHEM_MMFF94_ENERGY>
29.3776

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
10130415 120 18333733524201831587
10857977 72 18272929414425717544
11132069 177 18343584014499481547
12251169 10 18271801337334407386
15076042 46 18050275977987465210
16945 1 18343029895315357967
17804303 29 18054511301352570606
193761 8 17836364122382042167
20388701 513 18340483349018189960
20510252 161 18200873950823638968
20645464 45 17489585662489412082
20871998 184 18200306624319518382
21501502 16 18054225702900683557
2297311 6 18271531906042190910
232386 152 18409449219469604134
23402539 116 18129929118450768655
23463225 33 18335985276755266542
23552423 10 17976262657621882269
23559900 14 18199466568141467510
2748010 2 17981902847524770103
369184 2 18272362045046043530
53812654 25 18411981373057063046
81228 2 18198078983581153424

> <PUBCHEM_SHAPE_MULTIPOLES>
237.55
5.36
1.85
0.84
2.13
1.09
-0.1
-1.44
1.34
-0.25
0.07
0.48
0.02
-0.28

> <PUBCHEM_SHAPE_SELFOVERLAP>
477.227

> <PUBCHEM_SHAPE_VOLUME>
141.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$