* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    190     359
    1     0 S   NP   _N1_     1    29.08403    93.28169   -22.88183
    2     1 S   H    _HN1     2     1.02835    20.56312   137.82261
    3     1 S   H    _H1_     3     1.02778    97.05208   -98.72027
    4     1 S   H    _H2_     4     1.02966    94.93965    10.44484
    5     1 S   CT   _CA1     5     1.50119   131.27001   133.23613
    6     5 S   HC   _HA1     6     1.09572   105.27167    60.99957
    7     5 S   CO3  _C1_     7     1.53789   112.32943   -59.28179
    8     7 S   O2Z  _O11     8     1.26356   115.01451   -45.15573
    9     7 S   O2Z  _O12     9     1.26236   114.90561   134.04204
   10     5 S   CT   _CB1    10     1.53069   107.40734   178.92207
   11    10 S   HC   HB11    11     1.09824   109.36578   -50.89571
   12    10 S   HC   HB12    12     1.09794   110.32509    65.60311
   13    10 S   CT   _CG1    13     1.53033   112.75617  -172.07992
   14    13 S   HC   HG11    14     1.09592   110.42133   -62.53924
   15    13 S   HC   HG12    15     1.09636   110.07789    56.75133
   16    13 S   C    _CD1    16     1.51775   112.15630   177.05516
   17    16 S   O    _OE1    17     1.22739   123.20651    -5.24075
   18    16 S   N    _N2_    18     1.38666   111.81331   175.03193
   19    18 S   H    _HN2    19     1.01585   119.13085     2.49693
   20    18 S   CT1  _CA2    20     1.46077   123.19589  -178.85979
   21    20 S   HC   _HA2    21     1.09597   109.25735    -1.73020
   22    20 S   C    _C2_    22     1.53508   109.21223  -117.03068
   23    22 S   O    _O2_    23     1.23057   121.94872  -148.77961
   24    20 S   CT   _CB2    32     1.53454   111.77054   120.29026
   25    24 S   HC   HB21    33     1.09659   109.58842    65.31168
   26    24 S   HC   HB22    34     1.09580   110.70623  -177.52006
   27    22 S   N    _N3_    24     1.38419   113.69724    38.75365
   28    27 S   H    _HN3    25     1.01490   118.99172    -0.81948
   29    24 S   S    _SG2    35     1.82921   115.09010   -54.51656
   30    27 S   CT   _CA3    26     1.45463   123.54430   174.87776
   31    30 S   HC   HA31    27     1.09515   109.36929    22.09681
   32    30 S   HC   HA32    28     1.09499   107.09726   139.14029
   33    29 S   CT   _C13    36     1.82647   100.06246   -63.77857
   34    33 S   HC   _H13    37     1.09466   107.57473   -55.65755
   35    33 S   HC   _H14    38     1.09254   108.82986    62.46305
   36    30 S   CO3  _C3_    29     1.52924   112.99348  -101.45662
   37    36 S   O2Z  _O31    30     1.26413   115.36613   -45.04611
   38    36 S   O2Z  _O32    31     1.26347   115.00516   135.83768
   39    33 S   CT   _C12    39     1.53430   110.25742  -176.86100
   40    39 S   HC   _H5_    40     1.09439   109.40044   -43.19922
   41    39 S   CDS  _C11    41     1.53714   112.84459  -163.39143
   42    41 S   SD   _S1_    42     1.69217   121.05929   -59.39563
   43    39 S   OH   _O34    67     1.42166   111.21041    74.51139
   44    43 S   HO   _H15    68     0.97300   107.90961    56.06284
   45    41 S   CT   _C10    43     1.53446   119.58904   121.69407
   46    45 S   HC   _H4_    44     1.09680   109.78243   178.56728
   47    45 S   CT   _C5_    45     1.54981   113.55625    56.04228
   48    47 S   HC   _H3_    46     1.09598   110.05541   -61.39063
   49    45 S   SH   _S2_    65     1.84043   107.17733   -67.57734
   50    49 S   HS   _H16    66     1.34160    96.70584   -60.34594
   51    47 S   CT   _C4_    47     1.55327   112.73576    58.83072
   52    51 S   HC   _H6_    48     1.09745   108.77171  -164.31016
   53    51 S   HC   _H7_    49     1.09309   112.33216   -46.43266
   54    51 S   NE   _N8_    50     1.45864   111.01575    77.30547
   55    54 S   H    _H12    51     1.01367   119.02584  -158.26932
   56    54 S   CM   _C7_    52     1.38639   122.24738    37.20227
   57    56 S   CM   _C6_    53     1.35261   118.11080   -12.82235
   58    57 S   C    _C9_    54     1.50539   119.15982   179.07698
   59    58 S   O    _O33    55     1.22920   119.31126  -179.80218
   60    47 S   NE   _N4_    63     1.46799   109.77277   179.62727
   61    60 S   H    _H8_    64     1.01591   119.00975    74.70961
   62    58 S   NI   _N6_    56     1.38495   117.84877     0.46814
   63    62 S   CDX  _C8_    57     1.30509   119.35094     0.02798
   64    56 S   NE   _N5_    58     1.37264   123.37642   167.05135
   65    64 S   H    _H9_    59     1.01186   116.96097     0.38308
   66    63 S   NE   _N7_    60     1.36641   122.39985   179.88809
   67    66 S   H    _H10    61     1.01373   120.41599    -0.02798
   68    66 S   H    _H11    62     1.01265   122.04673  -179.95577
  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   7   5   4   3
   9   5   4   2   1   1   9   5  11   5   2   1  12   6  13   8
   3   1   9   5   4   8   3  10   8   7   3   3   1   6   5   4
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    49    43    44  
   41    42    45    43    44  
   42    45    46    47    48    51    60    49    50    43    44  
   45    46    47    49    43  
   44    45  
    0  
   46    47    48    51    52    53    54    57    60    61    49    50  
   47    48    51    60    49    50  
   48    51    52    53    54    55    56    57    58    60    61    49    50  
   51    52    53    54    57    60    61    49  
   50    51    60  
    0  
   52    53    54    55    56    57    64    60    61  
   53    54    55    56    60  
   54    55    56    60  
   55    56    57    58    63    64    65    60  
   56    57    64  
   57    58    59    62    63    64    65    66    60    61  
   58    59    62    63    64    65    60    61  
   59    62    63    64    66    60    61  
   62    63    60  
   61    62    64  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68  
   65    66    67    68  
   66  
   67    68  
   68  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.476200   2.0020   1.7750   0.023028004  -0.852763146
   42   4.1000   0.3950  -0.476200   2.3050   2.0500   0.025682759  -1.666211680
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   50   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   63   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   64   3.2500   0.1700  -0.507500   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   285.000  1.501
   39    43   320.000  1.410
   41    42   340.000  1.659
   41    45   285.000  1.501
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   222.000  1.810
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    60   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   382.000  1.448
   54    55   434.000  1.010
   54    56   425.000  1.378
   56    57   549.000  1.340
   56    64   425.000  1.378
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    62   415.000  1.368
   62    63   650.000  1.285
   63    64   445.000  1.380
   63    66   445.000  1.380
   64    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   60    61   434.000  1.010
   49    50   274.000  1.336
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  110.64500
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    65.00000  123.03400
   39    41    45    65.00000  115.26000
   39    43    44    55.00000  108.50000
   41    39    40    45.00000  109.11000
   41    45    46    45.00000  109.11000
   41    45    47    70.00000  110.64500
   41    45    49    70.00000  113.82000
   45    41    42    65.00000  123.03400
   45    47    48    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    47    60    80.00000  111.61500
   45    49    50    44.00000   96.00000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    80.00000  111.61500
   47    60    57    50.00000  121.00000
   47    60    61    35.00000  112.50000
   51    47    48    37.50000  110.70000
   51    54    55    35.00000  112.50000
   51    54    56    50.00000  121.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    70.00000  124.03900
   54    56    64    80.00000  126.31400
   56    54    55    35.00000  114.50000
   56    57    58    70.00000  118.70000
   56    57    60    70.00000  124.03900
   56    64    63    75.00000  119.57500
   56    64    65    35.00000  114.50000
   57    58    59    80.00000  125.30000
   57    58    62    75.00000  112.93000
   57    60    61    35.00000  114.50000
   58    62    63    75.00000  109.13600
   62    58    59    80.00000  126.08800
   62    63    64    75.00000  124.36500
   62    63    66    75.00000  124.36500
   63    64    65    35.00000  119.50000
   63    66    67    35.00000  119.50000
   63    66    68    35.00000  119.50000
   64    56    57    70.00000  124.03900
   66    63    64    85.00000  116.27000
   68    66    67    35.00000  109.00000
   60    47    48    35.00000  109.50000
   60    47    51    80.00000  111.61500
   60    57    58    70.00000  117.92000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  108.60000
   43    39    40    35.00000  109.50000
   43    39    41    95.00000  109.52300
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42  -0.72750  1.0 1.0
   33    39    41    42   0.84450 -1.0 2.0
   33    39    41    45   0.60050  1.0 1.0
   33    39    41    45   0.05600 -1.0 2.0
   33    39    41    45   0.26150  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    47   0.60050  1.0 1.0
   39    41    45    47   0.05600 -1.0 2.0
   39    41    45    47   0.26150  1.0 3.0
   39    41    45    49   0.65300  1.0 1.0
   39    41    45    49  -0.03850 -1.0 2.0
   39    41    45    49   0.33900  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44   0.91850  1.0 1.0
   41    39    43    44   0.57950  1.0 3.0
   41    45    47    48  -0.11250  1.0 3.0
   41    45    47    51  -0.95700  1.0 1.0
   41    45    47    51  -0.18200 -1.0 2.0
   41    45    47    51   0.29450  1.0 3.0
   41    45    47    60  -2.10200  1.0 1.0
   41    45    47    60  -0.31600 -1.0 2.0
   41    45    47    60   0.13050  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47  -0.72750  1.0 1.0
   42    41    45    47   0.84450 -1.0 2.0
   42    41    45    49   0.00000  1.0 1.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    54   1.26750  1.0 1.0
   45    47    51    54  -0.00950 -1.0 2.0
   45    47    51    54   0.30600  1.0 3.0
   45    47    60    57   0.25450  1.0 1.0
   45    47    60    57  -0.61700 -1.0 2.0
   45    47    60    57  -0.23550  1.0 3.0
   45    47    60    61   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    47    60   0.22950  1.0 3.0
   46    45    49    50   0.22550  1.0 3.0
   47    45    49    50  -0.37950  1.0 1.0
   47    45    49    50  -0.15600 -1.0 2.0
   47    45    49    50   0.18750  1.0 3.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.25450  1.0 1.0
   47    51    54    56  -0.61700 -1.0 2.0
   47    51    54    56  -0.23550  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.22950  1.0 3.0
   48    47    60    57   0.00000  1.0 1.0
   48    47    60    61   0.00000  1.0 1.0
   51    47    60    57   0.25450  1.0 1.0
   51    47    60    57  -0.61700 -1.0 2.0
   51    47    60    57  -0.23550  1.0 3.0
   51    47    60    61   0.00000  1.0 1.0
   51    54   -56    57  -0.54700  1.0 1.0
   51    54   -56    57   1.23000 -1.0 2.0
   51    54    56    64   1.00000 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    60   7.00000 -1.0 2.0
   54    56    64    63   1.00000 -1.0 2.0
   54    56    64    65   1.00000 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    64   1.00000 -1.0 2.0
   56    57    58    59   1.00000 -1.0 2.0
   56    57    58    62   0.50400  1.0 1.0
   56    57    58    62   1.60000 -1.0 2.0
   56    57    58    62  -0.01800  1.0 3.0
   56    57   -60    47  -0.54700  1.0 1.0
   56    57   -60    47   1.23000 -1.0 2.0
   56    57    60    61   1.00000 -1.0 2.0
   57    56    64    63  -0.54500  1.0 1.0
   57    56    64    63   1.14150 -1.0 2.0
   57    56    64    65   1.00000 -1.0 2.0
   57    58   -62    63   1.50000 -1.0 2.0
   58    57    60    47   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    62    63    64   6.00000 -1.0 2.0
   58    62    63    66   6.00000 -1.0 2.0
   59    58    62    63   3.09300 -1.0 2.0
   62    63   -64    56   1.00000 -1.0 2.0
   62    63    64    65   1.50000 -1.0 2.0
   62    63    66    67   1.50000 -1.0 2.0
   62    63    66    68   1.50000 -1.0 2.0
   64    56   -57    58   7.00000 -1.0 2.0
   64    56    57    60   7.00000 -1.0 2.0
   64    63    66    67   1.00000 -1.0 2.0
   64    63    66    68   1.00000 -1.0 2.0
   66    63    64    56   1.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
   60    47    51    52   0.22950  1.0 3.0
   60    47    51    53   0.22950  1.0 3.0
   60    47   -51    54   2.20050  1.0 1.0
   60    47   -51    54   0.63450 -1.0 2.0
   60    47   -51    54  -0.91300  1.0 3.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    62   1.50000 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    51   0.43650  1.0 1.0
   49    45    47    60   0.56750  1.0 1.0
   49    45    47    60  -0.07550 -1.0 2.0
   49    45    47    60   0.20000  1.0 3.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    45   0.55300  1.0 1.0
   43    39    41    45   1.25850 -1.0 2.0
   43    39    41    45  -0.23600  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
   37    30    36    38  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   55    56    54    51   1.00000 -1.0 2.0
   54    64    56    57   1.10000 -1.0 2.0
   58    60    57    56   1.10000 -1.0 2.0
   57    62    58    59  10.50000 -1.0 2.0
   64    66    63    62  10.50000 -1.0 2.0
   65    63    64    56   1.00000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
   61    57    60    47   1.00000 -1.0 2.0
END
