2404800
  -OEChem-06192423173D

 19 19  0     0  0  0  0  0  0999 V2000
    0.7362    2.8731    0.0233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990   -0.1098   -0.9722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1426   -0.8528   -0.2147 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496   -1.5707    0.2953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922    0.5294    0.2057 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636    0.2053    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    1.1942    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281   -1.1411    0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.8368   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8722   -1.4984   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8518   -0.5095   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826   -0.3430    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6016    0.3864    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -1.9709    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908    1.5273    0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2632    1.5947   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582   -2.5461   -0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4889    1.4728    0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1036    0.1009    1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2404800

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
8
3
7
10
9
6
11
5
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
17
1 -0.18
10 -0.15
11 0.19
12 0.57
13 0.35
14 0.15
15 0.37
16 0.15
17 0.15
2 -0.29
3 -0.19
4 -0.57
5 -0.55
6 0.12
7 0.18
8 -0.15
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 4 acceptor
1 5 donor
6 6 7 8 9 10 11 rings

> <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>
2

> <PUBCHEM_CONFORMER_ID>
0024B1C000000001

> <PUBCHEM_MMFF94_ENERGY>
31.4232

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10130415 120 18334857199278659272
10219947 1 18341898489091597746
10608611 8 18262797492607600713
11401426 45 18410007745643581714
11471102 20 18409727378388605861
12032990 46 18411428284665343594
124424 183 18186519895258220019
12654215 9 18334009505973516300
12932764 1 17313092090574656019
13571099 22 18341896315669386385
13922767 16 18410006662953172513
14144814 61 18411986845130247857
14251717 144 18412259545320097543
14325111 11 18338239378628945201
14648413 74 18190746533898616953
14911166 2 18408039598275937487
14993402 34 18343585139786369982
15477762 27 18341893000144590071
15757776 16 18410290272655314170
15848700 24 18341044147071611884
16945 1 18411145739814216128
18186145 218 18261382361276634149
193761 8 17690566703328038162
200 152 18060413621503847327
20201158 50 18408888416794219315
20233049 118 18113897134926609052
20606313 2 18410009952882270949
20645477 70 18412546522007730031
20871998 22 18199759033438289830
221490 88 18192437591498807851
23402539 116 18271519789074240261
23402655 69 18340198605929992069
2748010 2 18048886482762465241
3071541 12 18266748067703453872
3071541 158 18260833725753339644
7364860 26 18270400627950447272
74978 22 18338799021874331907
81228 2 18121514452974159872
8809292 202 18187654629870846099
93112 12 18409447029199670455

> <PUBCHEM_SHAPE_MULTIPOLES>
253.15
6.86
2.03
0.72
5.41
1.37
0.07
-1.56
1.34
-1.14
-0.05
0.43
0
0.05

> <PUBCHEM_SHAPE_SELFOVERLAP>
506.295

> <PUBCHEM_SHAPE_VOLUME>
150.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
