* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    30.34753    92.27544   -17.12125
    2     1 S   H    _HN1     2     1.03263   131.28436    -5.38991
    3     1 S   H    _H1_     3     1.03637   109.80563   127.01380
    4     1 S   H    _H2_     4     1.02704    28.43032    36.96706
    5     1 S   CT   _CA1     5     1.50222    85.40610  -121.39823
    6     5 S   HC   _HA1     6     1.09704   104.56105    71.45417
    7     5 S   CO3  _C1_     7     1.54204   111.41645   -44.29371
    8     7 S   O2Z  _O11     8     1.26058   116.74125  -116.48308
    9     7 S   O2Z  _O12     9     1.26630   113.91367    63.05433
   10     5 S   CT   _CB1    10     1.52919   106.54382  -173.32970
   11    10 S   HC   HB11    11     1.09799   108.91655   -48.59858
   12    10 S   HC   HB12    12     1.09785   109.99381    67.33189
   13    10 S   CT   _CG1    13     1.53267   113.64684  -169.46313
   14    13 S   HC   HG11    14     1.09479   111.48335   -80.62977
   15    13 S   HC   HG12    15     1.09603   110.62923    39.25231
   16    13 S   C    _CD1    16     1.51623   110.34626   158.40575
   17    16 S   O    _OE1    17     1.22844   121.68320  -116.01098
   18    16 S   N    _N2_    18     1.38191   112.81082    62.79127
   19    18 S   H    _HN2    19     1.01550   119.18239     8.81728
   20    18 S   CT1  _CA2    20     1.45871   123.50733  -172.10718
   21    20 S   HC   _HA2    21     1.09720   109.17143     8.51161
   22    20 S   C    _C2_    22     1.52884   107.51327  -108.66188
   23    22 S   O    _O2_    23     1.23006   122.96389   -19.54015
   24    20 S   CT   _CB2    32     1.53325   111.17854   130.59302
   25    24 S   HC   HB21    33     1.09587   109.98300    59.01921
   26    24 S   HC   HB22    34     1.09161   109.92557   177.94072
   27    22 S   N    _N3_    24     1.38598   112.59868   162.13685
   28    27 S   H    _HN3    25     1.01586   119.90491    -0.32924
   29    24 S   S    _SG2    35     1.82906   111.14501   -61.50990
   30    27 S   CT   _CA3    26     1.45404   122.63471   179.49993
   31    30 S   HC   HA31    27     1.09492   107.29504  -157.04048
   32    30 S   HC   HA32    28     1.09570   108.32413   -40.32924
   33    29 S   CT   _C7_    36     1.84976    99.81682   173.22161
   34    33 S   HC   _H6_    37     1.09577   106.64842   -27.66277
   35    30 S   CO3  _C3_    29     1.53016   113.97295    82.60616
   36    35 S   O2Z  _O31    30     1.26375   115.90503    38.61915
   37    35 S   O2Z  _O32    31     1.26485   114.79854  -142.25045
   38    33 S   CT   _C8_    38     1.54521   109.19458  -146.36936
   39    38 S   HC   _H7_    39     1.09815   109.25262   -59.67163
   40    38 S   CT   _C9_    40     1.54292   110.81623  -179.34628
   41    40 S   HC   _H8_    41     1.09586   108.36850   177.77419
   42    38 S   OS   _O37    70     1.43111   110.55079    60.06029
   43    40 S   CT   _C4_    42     1.53943   110.70809    57.13223
   44    43 S   HC   _H3_    43     1.09487   109.35030  -174.29985
   45    40 S   OS   _O33    65     1.42989   109.76366   -63.64029
   46    42 S   P3   _P2_    71     1.65191   119.42835  -135.48880
   47    46 S   O2Z  _O39    72     1.52689   103.84364  -175.65305
   48    46 S   O2Z  _O40    73     1.52661   105.27925    65.48438
   49    46 S   O2Z  _O38    74     1.52383   105.47883   -55.06883
   50    43 S   CT   _C5_    44     1.53840   113.21302   -53.05146
   51    50 S   HC   _H4_    45     1.09662   109.38609   169.72856
   52    43 S   OH   _O52    63     1.42943   109.34293    68.07923
   53    52 S   HO   _H10    64     0.97294   107.00063    57.35771
   54    45 S   P3   _P1_    66     1.65115   119.58185  -137.47392
   55    54 S   O2Z  _O35    67     1.52577   103.76465  -173.54032
   56    54 S   O2Z  _O36    68     1.52452   104.82355    66.95947
   57    54 S   O2Z  _O34    69     1.52562   105.10902   -53.54647
   58    33 S   CT   _C6_    46     1.54380   109.87197    92.85881
   59    58 S   HC   _H5_    47     1.09844   109.01353    56.62582
   60    50 S   OS   _O48    57     1.42899   109.77440   -71.04138
   61    58 S   OS   _O41    48     1.42880   109.90983   -63.04296
   62    60 S   P2   _P5_    58     1.63327   119.83965  -100.13597
   63    62 S   O2Z  _O51    59     1.51227   109.01966  -175.22299
   64    62 S   O2Z  _O49    60     1.51336   109.70095    50.89840
   65    61 S   P2   _P3_    49     1.63160   119.38619   133.38586
   66    65 S   O2Z  _O43    50     1.51270   109.23190    71.79727
   67    65 S   O2Z  _O42    51     1.51508   109.01654   -60.91474
   68    62 S   OS   _O50    61     1.62828    99.76880   -62.23144
   69    68 S   HO   _H9_    62     0.98682   118.26195   -72.17586
   70    65 S   OS   _O44    52     1.62680    99.88071  -173.60211
   71    70 S   P3   _P4_    53     1.63997   133.31646   -42.54728
   72    71 S   O2Z  _O46    54     1.52612   103.64020  -163.80509
   73    71 S   O2Z  _O47    55     1.52425   104.58772    76.80287
   74    71 S   O2Z  _O45    56     1.52420   105.06545   -43.90707
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  16   7   7  12   7   6   3   2   1
   1  12   6   3   1   3   2   1   1   8   3   6   5   4   3   2
   7   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    59    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    59    61    65    60    45    42    46  
   38    39    40    50    58    59    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    58    59    61    52    45    54    42    46    47    48    49  
   40    41    43    58    45    42    46  
   41    43    44    50    51    58    60    52    53    45    54    55    56    57    42    46  
   43    44    50    52    45    54    42  
   46    47    48    49    43    45    58  
   44    50    51    58    59    61    60    62    52    53    45    54  
   50    51    58    60    52    53    45  
   54    55    56    57    50    52  
   47    48    49  
   48    49  
   49  
    0  
   51    58    59    61    65    60    62    63    64    68    52    53  
   58    59    61    60    62    52  
   53    58    60  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    61    65    66    67    70    60    62  
   61    65    60  
   62    63    64    68    69    61  
   65    66    67    70    71  
   63    64    68    69  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74  
   67    70    71  
   70    71  
   69  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    60   320.000  1.410
   58    59   340.000  1.090
   58    61   320.000  1.410
   61    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   60    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    68   230.000  1.697
   68    69   553.000  0.945
   52    53   553.000  0.945
   45    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   42    46   230.000  1.630
   46    47   525.000  1.516
   46    48   525.000  1.516
   46    49   525.000  1.516
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    50    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    54    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    58    58.35000  112.70000
   43    50    60    50.00000  109.50000
   43    52    53    55.00000  108.50000
   50    43    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    61    50.00000  109.50000
   50    60    62   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    61    65   100.00000  120.50000
   61    58    59    35.00000  109.50000
   61    65    66   100.00000  108.23000
   61    65    67   100.00000  108.23000
   61    65    70    45.00000  102.60000
   65    70    71    45.00000  143.19000
   67    65    66   140.00000  119.90000
   70    65    66   100.00000  108.23000
   70    65    67   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   60    50    51    35.00000  109.50000
   60    50    58    50.00000  109.50000
   60    62    63   100.00000  108.23000
   60    62    64   100.00000  108.23000
   60    62    68    45.00000  102.60000
   62    68    69    45.00000  108.50000
   64    62    63   140.00000  119.90000
   68    62    63   100.00000  108.23000
   68    62    64   100.00000  108.23000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    54    55   100.00000  107.00000
   45    54    56   100.00000  107.00000
   45    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  107.00000
   42    46    48   100.00000  107.00000
   42    46    49   100.00000  107.00000
   48    46    47   140.00000  114.00000
   49    46    47   140.00000  114.00000
   49    46    48   140.00000  114.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    50   0.44750  1.0 1.0
   29    33    58    50  -0.17800 -1.0 2.0
   29    33    58    50   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.56750  1.0 1.0
   29    33    58    61  -0.07550 -1.0 2.0
   29    33    58    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    61    65  -2.65550  1.0 1.0
   33    58    61    65  -0.22350 -1.0 2.0
   33    58    61    65   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    58    50   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    61   0.23400  1.0 3.0
   38    33    58    50   0.56750  1.0 1.0
   38    33    58    50  -0.07550 -1.0 2.0
   38    33    58    50   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    61   0.62750  1.0 1.0
   38    33    58    61  -0.30950 -1.0 2.0
   38    33    58    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.86500  1.0 1.0
   38    40    43    52  -0.17500 -1.0 2.0
   38    40    43    52   0.20800  1.0 3.0
   38    40    45    54  -2.65550  1.0 1.0
   38    40    45    54  -0.22350 -1.0 2.0
   38    40    45    54   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    58   0.56750  1.0 1.0
   40    43    50    58  -0.07550 -1.0 2.0
   40    43    50    58   0.20000  1.0 3.0
   40    43    50    60   0.62750  1.0 1.0
   40    43    50    60  -0.30950 -1.0 2.0
   40    43    50    60   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   40    45    54    55   0.00000  1.0 1.0
   40    45    54    56   0.00000  1.0 1.0
   40    45    54    57   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    54   0.03000  1.0 3.0
   43    40    45    54  -2.65550  1.0 1.0
   43    40    45    54  -0.22350 -1.0 2.0
   43    40    45    54   0.24150  1.0 3.0
   43    50   -58    33   0.56750  1.0 1.0
   43    50   -58    33  -0.07550 -1.0 2.0
   43    50   -58    33   0.20000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    61   0.62750  1.0 1.0
   43    50    58    61  -0.30950 -1.0 2.0
   43    50    58    61   0.27300  1.0 3.0
   43    50    60    62  -2.65550  1.0 1.0
   43    50    60    62  -0.22350 -1.0 2.0
   43    50    60    62   0.24150  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   44    43    50    60   0.23400  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   50    43    52    53  -0.11600  1.0 1.0
   50    43    52    53  -0.09450 -1.0 2.0
   50    43    52    53   0.21250  1.0 3.0
   50    58    61    65  -2.65550  1.0 1.0
   50    58    61    65  -0.22350 -1.0 2.0
   50    58    61    65   0.24150  1.0 3.0
   50    60    62    63   0.00000  1.0 1.0
   50    60    62    64   0.00000  1.0 1.0
   50    60    62    68   0.05050  1.0 1.0
   50    60    62    68  -1.30700 -1.0 2.0
   50    60    62    68   0.91550  1.0 3.0
   51    50    58    33   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    61   0.23400  1.0 3.0
   51    50    60    62   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    50    60    62  -2.65550  1.0 1.0
   58    50    60    62  -0.22350 -1.0 2.0
   58    50    60    62   0.24150  1.0 3.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    70   0.05050  1.0 1.0
   58    61    65    70  -1.30700 -1.0 2.0
   58    61    65    70   0.91550  1.0 3.0
   59    58    61    65   0.03000  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   65    70    71    72   0.50000  1.0 3.0
   65    70    71    73   0.50000  1.0 3.0
   65    70    71    74   0.50000  1.0 3.0
   66    65    70    71   0.50000  1.0 3.0
   67    65    70    71   0.50000  1.0 3.0
   60    50    58    33   0.62750  1.0 1.0
   60    50    58    33  -0.30950 -1.0 2.0
   60    50    58    33   0.27300  1.0 3.0
   60    50    58    59   0.23400  1.0 3.0
   60    50    58    61   1.11900  1.0 1.0
   60    50    58    61  -1.16350 -1.0 2.0
   60    50    58    61  -0.34150  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   63    62    68    69   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    58   0.86500  1.0 1.0
   52    43    50    58  -0.17500 -1.0 2.0
   52    43    50    58   0.20800  1.0 3.0
   52    43    50    60   3.69350  1.0 1.0
   52    43    50    60  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.62750  1.0 1.0
   45    40    43    50  -0.30950 -1.0 2.0
   45    40    43    50   0.27300  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
