176983
  -OEChem-05302503483D

 24 24  0     0  0  0  0  0  0999 V2000
   -0.0513    1.2891    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    1.2147    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -0.0509   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385   -0.0497    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108   -1.1693   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.1423   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -0.0721    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365   -0.0248   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    1.0660   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8235   -1.0606    0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    1.8560   -0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365    1.8742    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    1.2994    1.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    2.0886    0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745   -2.1409   -0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193   -2.0568   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398    0.2057    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841    0.7385   -0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0556   -0.9858   -0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7188    2.0076   -0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9617    0.8966   -0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417    1.1862   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9086   -1.0659    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193   -1.8805    1.1554 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 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
176983

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
14
1 0.14
10 -0.3
15 0.15
16 0.15
2 0.14
23 0.15
24 0.15
3 -0.14
4 -0.28
5 -0.15
6 -0.15
7 -0.14
8 0.14
9 0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1.4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
6 1 2 3 4 5 6 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
0002B35700000001

> <PUBCHEM_MMFF94_ENERGY>
17.4106

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10219947 1 17988926669373458430
10857977 72 18336261331546358515
12032990 46 18341903982566038830
12138202 97 17968926518715510415
124424 183 18261382317641295394
12897270 3 18412825754969002156
12932764 1 18343017821845901167
14325111 11 18409729573311994868
16945 1 18060420213824946406
17844478 74 18261683661389827593
19026448 5 16732701653743663942
19973954 147 18408324410484642917
20201158 50 18411134706180473615
20715346 28 18340480174736619593
21040471 1 18269270338697349516
23235685 24 18341888593555539012
23402539 116 18040703780501831063
23402655 69 18198326378799589597
23552423 10 18259706700517176655
2748010 2 18269269243385886468
29004967 10 18413674599383584475
5084963 1 18337676424559930705
528886 8 18341887468036691785
53812653 166 18411979139579162585

> <PUBCHEM_SHAPE_MULTIPOLES>
205.8
4.96
1.42
0.74
0.69
0.09
0.01
-0.03
-0.02
-0.25
0.02
-0.19
0.01
0.53

> <PUBCHEM_SHAPE_SELFOVERLAP>
413.33

> <PUBCHEM_SHAPE_VOLUME>
119.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$