7875
  -OEChem-10101915363D

 67 66  0     0  0  0  0  0  0999 V2000
    0.5239   -2.2825   -1.3579 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183   -2.3633    1.2207 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.9141   -0.2485   -0.9960 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0346    0.2578    0.7800 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.7383    1.6638    1.5233 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767    2.3693   -1.3329 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -2.0184    0.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6643   -1.1062   -1.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097   -1.3620    0.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964    0.6087    0.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593    1.0203   -0.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961   -3.9942   -1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8701   -2.2054   -2.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8398   -4.1637    1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801   -2.1018    3.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.9295   -2.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2682   -1.4266   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495    1.0600    2.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8436    0.4045    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    0.8775    2.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    2.1198    2.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4593    3.2501    0.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4285    2.3844   -2.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855    2.3720   -2.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    3.9549   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065   -4.1000   -0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -4.7683   -1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -4.1632   -2.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.2292   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4816   -2.3615   -3.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195   -2.9759   -2.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1859   -4.3726    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010   -4.8296    1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6547   -4.3919    1.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4115   -1.0829    3.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176   -2.2690    3.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235   -2.7962    3.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276    1.6626   -2.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5171    1.4674   -1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0225    0.3778   -3.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8953   -2.0989    0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207   -2.0336   -1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204   -0.8724   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.0451    2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821    2.1017    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491    0.5293    3.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0014   -0.0157   -0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4791   -0.1386    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1601    1.4515    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366   -0.0585    3.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    0.6597    2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2640    1.5495    3.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149    1.2287    3.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124    2.8290    3.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645    2.5780    1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3797    3.0437    0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    3.7247    0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6934    3.9570    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4560    1.4575   -3.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3758    2.4841   -1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    3.2237   -3.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3021    1.4578   -2.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    3.2290   -3.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815    2.4318   -1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9763    4.0130    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    3.9934    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805    4.8304   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7875

> <PUBCHEM_CONFORMER_RMSD>
1.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
46
18
48
63
49
5
27
41
54
44
10
32
57
42
60
39
26
38
24
8
12
43
30
3
16
7
58
40
47
56
28
11
13
37
61
31
51
52
21
35
23
36
55
22
45
19
25
50
2
59
33
34
20
15
62
53
64
4
9
17
14
29
6

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
25
1 0.76
10 -0.59
11 -0.59
12 -0.08
13 -0.08
14 -0.08
15 -0.08
16 -0.08
17 -0.08
18 -0.08
19 -0.08
2 0.76
20 -0.08
21 -0.08
22 -0.08
23 -0.08
24 -0.08
25 -0.08
3 0.76
4 0.76
5 0.54
6 0.54
7 -0.59
8 -0.59
9 -0.59

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
10

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
00001EC300000001

> <PUBCHEM_MMFF94_ENERGY>
-6.5427

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10366900 7 18199487522479673005
12633257 1 18269574770131839434
12788726 201 17822292460805559289
14114207 22 16886345020422819474
14251757 17 17686357377279351230
14251764 3 18339069406849988392
17921350 177 18335685170738271800
19930381 70 17846500322726103265
20764821 26 18059302053676161264
238 59 18126545852505697621
3187 122 17975693106325092427
35225 105 18121192502135786000
3524813 1 18340779156031508316
469060 322 17408781659769049510

> <PUBCHEM_SHAPE_MULTIPOLES>
594.42
7.23
5.3
3.38
1.72
1.7
-0.48
-3.8
-0.94
-1.32
0.75
0.38
-0.36
3.24

> <PUBCHEM_SHAPE_SELFOVERLAP>
1021.484

> <PUBCHEM_SHAPE_VOLUME>
396.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$