2384592
  -OEChem-06192423173D

 25 25  0     0  0  0  0  0  0999 V2000
    3.3828    2.4252    0.4861 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2057    1.5326   -0.3921 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.6477    0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -0.5845   -0.8216 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317   -1.7265    0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -1.8534   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -0.8617    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906    0.5069    0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1018   -1.4218   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918    1.3157    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -0.6130   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381   -0.0813   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482    0.7558   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    1.2536   -0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1118   -2.7288    1.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7571   -1.3351    1.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0262   -2.5346   -0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -2.2672   -1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754   -0.0464   -1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026    0.9569    1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -2.4864   -0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9496    2.3813    0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034   -1.0485   -0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377    1.1737   -1.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    1.6136   -1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2384592

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
4
37
9
13
50
19
29
5
10
31
3
34
25
43
21
30
38
35
33
42
11
23
2
14
12
6
39
1
8
22
36
47
17
16
20
32
52
44
41
40
48
7
18
46
51
15
49
45
28
27
26
24

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
19
1 -0.29
10 -0.15
11 -0.15
12 0.57
13 0.19
14 0.35
19 0.37
2 -0.19
20 0.15
21 0.15
22 0.15
23 0.15
3 -0.57
4 -0.73
5 0.14
6 0.3
7 -0.14
8 -0.15
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 3 acceptor
1 4 donor
6 7 8 9 10 11 13 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
002462D000000004

> <PUBCHEM_MMFF94_ENERGY>
21.5296

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10608611 8 18410857672152487236
12162725 195 18410575089269464478
13897977 150 18412546534818713745
14250199 8 18271536286043734662
14897335 6 18337670811106577731
15775835 57 18259708895482822356
17802600 8 18408880720465882980
18186145 218 18272664466773364200
192875 21 18271802381138353232
20281407 28 9871752386081860934
20449540 30 18272658973642048577
20671657 53 17413044096993962406
20871998 22 9583519810938379722
20871999 31 17917699237170117287
21524375 3 18335703832091370266
22096605 113 18413390947000872946
22485316 2 10447931654829188670
23402539 116 18342727503695168974
23559900 14 18200592493322553534
351380 180 18413102871039249504
449060 23 11240002243429504614
474 4 18040441000795060180
5262128 65 17416432933748914956
526903 126 18340490053388279689
7364860 26 18122623855753739570
8050 44 18409165510761778884
94968 8 10735868474392860172
9981440 41 18120649391153062306

> <PUBCHEM_SHAPE_MULTIPOLES>
271.86
7.22
2.26
0.88
1.27
0.39
0.01
3.85
-0.93
0.7
0.17
0.26
-0.01
0.16

> <PUBCHEM_SHAPE_SELFOVERLAP>
543.814

> <PUBCHEM_SHAPE_VOLUME>
161

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
