Unnamed
  Chem3D Core 14.012121417543D

 36 38  0  0  0  0  0  0  0  0999 V2000
   -2.4541    1.0114   -1.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733   -0.6804    0.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661   -0.6916    0.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9096    0.1673   -0.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748    0.7180    1.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    2.4395   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774    0.3866   -1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    0.4701    0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -0.9657   -0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.2239   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -1.6018    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1633    0.3737   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757    1.3041    1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300    0.2127   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340    1.3872    1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4671   -0.1954   -0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107   -1.1949   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0837    1.1415   -1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    0.3109   -2.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692   -1.6587   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4353   -2.4395    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5025   -1.9896   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9622    2.3510    0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514    1.2647    2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990    2.2458    0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825    0.9318    1.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944    1.7726    1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0973    0.5940   -0.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2687   -0.9129   -1.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0272   -0.7270    0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1946   -1.8510    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -1.6367   -1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196   -1.1993    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973    1.2340   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386    0.7899   -2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    2.1486   -1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0      
  1 12  1  0      
  2  8  1  0      
  2 11  1  0      
  3  9  1  0      
  3 12  1  0      
  4  8  1  0      
  4 14  1  0      
  5 13  1  0      
  5 14  1  0      
  6 10  2  0      
  7  9  1  0      
  7 10  1  0      
  7 19  1  0      
  8 10  1  0      
  8 13  1  0      
  9 11  1  0      
  9 20  1  0      
 11 21  1  0      
 11 22  1  0      
 12 15  1  0      
 12 16  1  0      
 13 23  1  0      
 13 24  1  0      
 14 17  1  0      
 14 18  1  0      
 15 25  1  0      
 15 26  1  0      
 15 27  1  0      
 16 28  1  0      
 16 29  1  0      
 16 30  1  0      
 17 31  1  0      
 17 32  1  0      
 17 33  1  0      
 18 34  1  0      
 18 35  1  0      
 18 36  1  0      
M  END
>  <PUBCHEM_COMPOUND_CID> (1)
7275400

>  <PUBCHEM_CONFORMER_RMSD> (1)
0.6

>  <PUBCHEM_CONFORMER_DIVERSEORDER> (1)
1

4

3

2

5

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES> (1)
14

1 -0.56

10 0.45

11 0.28

12 0.56

13 0.28

14 0.56

2 -0.56

3 -0.56

4 -0.56

5 -0.56

6 -0.57

7 0.34

8 0.62

9 0.28

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT> (1)
1.8

>  <PUBCHEM_PHARMACOPHORE_FEATURES> (1)
11

1 1 acceptor

1 2 acceptor

1 3 acceptor

1 4 acceptor

1 5 acceptor

1 6 acceptor

3 12 15 16 hydrophobe

3 14 17 18 hydrophobe

5 1 3 7 9 12 rings

5 4 5 8 13 14 rings

6 2 7 8 9 10 11 rings

>  <PUBCHEM_HEAVY_ATOM_COUNT> (1)
18

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT> (1)
3

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT> (1)
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT> (1)
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT> (1)
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT> (1)
0

>  <PUBCHEM_COMPONENT_COUNT> (1)
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT> (1)
2

>  <PUBCHEM_CONFORMER_ID> (1)
006F038800000001

>  <PUBCHEM_MMFF94_ENERGY> (1)
45.5097

>  <PUBCHEM_FEATURE_SELFOVERLAP> (1)
56.203

>  <PUBCHEM_SHAPE_FINGERPRINT> (1)
11132069 177 18259980496271794643

12011746 2 18334010588874889791

12032990 46 18409167714290978671

12186901 62 17677333796913556222

12403814 3 16950275230613740245

12491281 212 17346611754682526313

13221675 6 18333447651183903947

13581323 91 18412822499346816622

13760787 5 18259707782943854991

14289901 80 12901543524851834924

14943859 89 18187086173705807082

14993402 34 18409165541227203735

15309172 13 18259706696507228075

15775835 57 18187081771359073443

15848702 151 17703513177471893023

16945 1 17603578634379394063

17834072 14 9151166550092474963

17844478 74 17676489423660097053

18186145 218 18060135440302887440

19422 9 18412830170158394207

200 152 13623525770651960425

20281475 54 18343582936726570942

23402539 116 18412537687507577804

23419403 2 11726078102101901449

23493267 7 17313944096022013969

23559900 14 18412266160450538948

2748010 2 18120363513191385129

296302 2 17989490744697949548

3286 77 17989198244192023914

474 4 16227185893043627028

4990 188 18131633370032204999

69090 78 17632007641561196775

74978 22 17988921227528640010

81228 2 17901938969998379915

>  <PUBCHEM_SHAPE_MULTIPOLES> (1)
335.22

7.32

1.61

1.13

0.08

0.12

0.06

0.07

-0.64

-0.09

0.14

-0.14

-0.21

-0.19

>  <PUBCHEM_SHAPE_SELFOVERLAP> (1)
716.518

>  <PUBCHEM_SHAPE_VOLUME> (1)
186.7

>  <PUBCHEM_COORDINATE_TYPE> (1)
2

5

10

$$$$
