* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    221     402
    1     0 S   NP   _N1_     1    29.78201    93.75628   -25.31540
    2     1 S   H    _HN1     2     1.02832    23.56998  -166.62440
    3     1 S   H    _H1_     3     1.02786   116.96353   -94.44717
    4     1 S   H    _H2_     4     1.02947    83.49751    12.87417
    5     1 S   CT   _CA1     5     1.50091   120.72587   122.84333
    6     5 S   HC   _HA1     6     1.09572   105.22608    83.00546
    7     5 S   CO3  _C1_     7     1.53791   112.40432   -37.28750
    8     7 S   O2Z  _O11     8     1.26369   114.99776   -44.40458
    9     7 S   O2Z  _O12     9     1.26233   114.94520   134.81685
   10     5 S   CT   _CB1    10     1.53099   107.46016  -158.99918
   11    10 S   HC   HB11    11     1.09831   109.42582   -49.94109
   12    10 S   HC   HB12    12     1.09815   110.45217    66.68189
   13    10 S   CT   _CG1    13     1.52995   112.54895  -170.91580
   14    13 S   HC   HG11    14     1.09585   110.61231   -64.55223
   15    13 S   HC   HG12    15     1.09667   109.81198    54.67487
   16    13 S   C    _CD1    16     1.51780   112.25450   175.17274
   17    16 S   O    _OE1    17     1.22738   123.25370     6.06375
   18    16 S   N    _N2_    18     1.38674   111.64045  -174.37214
   19    18 S   H    _HN2    19     1.01606   118.94175     1.37857
   20    18 S   CT1  _CA2    20     1.46070   123.41811   177.49751
   21    20 S   HC   _HA2    21     1.09569   109.33130    -2.96214
   22    20 S   C    _C2_    22     1.53488   108.72250  -117.78070
   23    22 S   O    _O2_    23     1.23044   122.22087  -149.05105
   24    20 S   CT   _CB2    32     1.53392   111.80291   119.68567
   25    24 S   HC   HB21    33     1.09670   109.49804    62.09473
   26    24 S   HC   HB22    34     1.09523   110.94511   178.97779
   27    22 S   N    _N3_    24     1.38310   113.61996    38.48363
   28    27 S   H    _HN3    25     1.01611   119.54679    -3.17792
   29    24 S   S    _SG2    35     1.83173   115.12588   -57.59998
   30    27 S   CT   _CA3    26     1.45283   123.22253   176.95322
   31    30 S   HC   HA31    27     1.09549   107.47209   -65.49750
   32    30 S   HC   HA32    28     1.09556   108.03037    50.95169
   33    29 S   CT   _C10    36     1.82325   100.85796   -60.38815
   34    33 S   HC   _H7_    37     1.09466   108.06404    61.43754
   35    30 S   CO3  _C3_    29     1.52958   114.06586   172.98533
   36    35 S   O2Z  _O31    30     1.26377   116.04769    -0.74939
   37    35 S   O2Z  _O32    31     1.26431   114.41503   179.33530
   38    33 S   CT   _C11    38     1.53121   114.30514   -62.20063
   39    38 S   HC   _H10    39     1.09571   112.91834   -45.62800
   40    38 S   HC   _H11    40     1.09505   111.21311    77.46853
   41    33 S   CT   _C9_    49     1.54244   113.55190  -178.84988
   42    38 S   NE   _N8_    41     1.45852   102.24097  -163.34433
   43    41 S   OH   _O33    50     1.43039   110.89050    49.05482
   44    43 S   HO   _H12    51     0.97264   107.29119   -40.62280
   45    41 S   OH   _O34    52     1.41597   112.26175   -74.81991
   46    45 S   HO   _H13    53     0.97249   107.61008    39.68387
   47    42 S   CDX  _C7_    42     1.38052   123.37761  -142.11669
   48    47 S   NE   _N6_    43     1.38130   112.63961   139.20806
   49    47 S   NI   _N7_    72     1.30246   123.20037   -38.02746
   50    49 S   H    _H6_    73     1.02650   107.36949   178.19832
   51    48 S   CT   _C6_    44     1.46167   123.43427   -25.10928
   52    51 S   HC   _H5_    45     1.09820   108.61277   170.39962
   53    48 S   OH   _O35    70     1.38683   115.93097  -178.44216
   54    53 S   HO   _H14    71     0.97327   101.83007  -107.05480
   55    51 S   CT   _C5_    46     1.54521   109.64195    50.14553
   56    55 S   HC   _H4_    47     1.09411   110.33590  -155.58025
   57    51 S   CT   _C12    61     1.54033   109.95819   -71.40888
   58    57 S   HC   _H15    62     1.09630   109.95804   172.41819
   59    57 S   HC   _H16    63     1.09586   111.50168    51.41702
   60    42 S   CT   _C8_    48     1.46780   111.65206    23.67987
   61    57 S   OS   _O36    64     1.43930   109.18917   -69.61645
   62    60 S   NE   _N9_    54     1.46078   112.26947   121.83814
   63    62 S   H    _H9_    55     1.01210   120.85295   -58.51439
   64    61 S   CO4  _C13    65     1.36158   115.64297   173.57014
   65    64 S   O    _O37    66     1.22507   125.51834     0.77481
   66    62 S   CDX  _C4_    56     1.37060   114.34787   127.93311
   67    64 S   N    _N10    67     1.36852   110.25065  -179.27207
   68    67 S   H    _H17    68     1.01331   120.96622   179.95154
   69    67 S   H    _H18    69     1.01323   121.05498     0.22642
   70    55 S   NE   _N5_    57     1.46532   108.61699    86.43849
   71    70 S   H    _H8_    58     1.01274   122.38720    63.13928
   72    66 S   NI   _N4_    59     1.28952   127.12067   176.03222
   73    72 S   H    _H3_    60     1.02498   108.56463     0.02798
  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
  14   8   2   1   1  12   5   4  14  15   6   2   4   1  11  14
   4   1  15   9   3   1  12   6   8   3   2   6   5   6   3   4
   3   4   2   1   1   3   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    60    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    55    60    41    43    44    45    46    62  
   38    39    40    42    60    41    43    45  
   36    37  
   37  
    0  
   39    40    42    47    48    55    60    41    43    45    62    49  
   40    42    47    60    41  
   42    47    60    41  
   43    44    45    46    62    63    66    70    42    47    51    55    56    60  
   47    48    51    55    56    60    43    45    62    63    66    70    53    49    50  
   44    45    46    62    55    60  
   45    60  
   46    62    55    60  
   60  
   48    51    52    55    60    62    57    53    54    49    50  
   51    52    55    56    60    70    57    58    59    61    53    54    49    50  
   50    51    53    60  
    0  
   52    55    56    60    62    66    70    71    57    58    59    61    64    53    54  
   55    56    60    70    57    58    59    61    53  
   54    55    57  
    0  
   56    60    62    63    66    70    71    72    57    58    59    61  
   60    62    66    70    71    57  
   58    59    61    64    65    67    60    70  
   59    61    64  
   61    64  
   62    63    66    70    71    72  
   64    65    67    68    69  
   63    66    70    71    72    73  
   66    70    72  
   65    67    68    69  
   67    68    69  
   70    71    72    73  
   68    69  
   69  
    0  
   71    72    73  
   72  
   73  
    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   0.177500   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   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.2500   0.1700  -0.413000   2.1120   1.8750   0.051222218  -2.220205820
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.094000   2.1120   1.8750   0.051222218  -2.220205820
   49   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   50   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.550700   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.159000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.368000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   71   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   73   0.5000   0.0300   0.426000   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    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   382.000  1.448
   42    47   445.000  1.380
   42    60   382.000  1.448
   47    48   445.000  1.380
   47    49   650.000  1.285
   48    51   382.000  1.448
   48    53   315.000  1.396
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    70   382.000  1.448
   60    41   268.000  1.529
   60    62   382.000  1.448
   41    43   320.000  1.410
   41    45   320.000  1.410
   43    44   553.000  0.945
   45    46   553.000  0.945
   62    63   434.000  1.010
   62    66   445.000  1.380
   66    70   445.000  1.380
   66    72   650.000  1.285
   70    71   434.000  1.010
   72    73   434.000  1.010
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   320.000  1.410
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   53    54   553.000  0.945
   49    50   434.000  1.010
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    80.00000  111.61500
   33    41    60    58.35000  112.70000
   33    41    43    50.00000  109.50000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    50.00000  119.50000
   38    42    60    50.00000  115.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    85.00000  116.27000
   42    47    49    75.00000  124.36500
   42    60    55    80.00000  111.61500
   42    60    41    80.00000  111.61500
   42    60    62    90.00000  107.82800
   47    48    51    50.00000  119.50000
   47    48    53    90.00000  119.64000
   47    49    50    55.00000  110.29700
   48    51    52    35.00000  109.50000
   48    51    55    80.00000  111.61500
   48    51    57    80.00000  111.61500
   48    53    54    75.00000  105.39500
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   51    55    70    80.00000  111.61500
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    50.00000  109.50000
   55    51    52    37.50000  110.70000
   55    60    41    58.35000  112.70000
   55    60    62    80.00000  111.61500
   55    70    66    50.00000  119.50000
   55    70    71    35.00000  112.50000
   60    42    47    50.00000  119.50000
   60    55    56    37.50000  110.70000
   60    41    43    50.00000  109.50000
   60    41    45    50.00000  109.50000
   60    62    63    35.00000  112.50000
   60    62    66    50.00000  119.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    55.00000  108.50000
   41    45    46    55.00000  108.50000
   45    41    43   115.00000  113.08500
   62    60    41    80.00000  111.61500
   62    66    70    85.00000  116.27000
   62    66    72    75.00000  124.36500
   66    62    63    35.00000  119.50000
   66    70    71    35.00000  119.50000
   66    72    73    55.00000  110.29700
   70    55    56    35.00000  109.50000
   70    55    60    80.00000  111.61500
   72    66    70    75.00000  124.36500
   57    51    52    37.50000  110.70000
   57    51    55    58.35000  112.70000
   57    61    64    83.00000  116.90000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    67   110.00000  108.75700
   64    67    68    50.00000  116.34900
   64    67    69    50.00000  116.34900
   67    64    65    85.00000  125.96000
   69    67    68    35.00000  120.00000
   53    48    51   100.00000  106.16000
   49    47    48    75.00000  124.36500
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  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    41    60   0.44750  1.0 1.0
   29    33    41    60  -0.17800 -1.0 2.0
   29    33    41    60   0.20200  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    42    47   0.38950  1.0 1.0
   33    38    42    47  -0.47050 -1.0 2.0
   33    38    42    47   0.83150  1.0 3.0
   33    38   -42    60   0.00000  1.0 1.0
   33    41    43    44  -0.11600  1.0 1.0
   33    41    43    44  -0.09450 -1.0 2.0
   33    41    43    44   0.21250  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  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   0.22950  1.0 3.0
   34    33    41    60   0.15000  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    60   0.56750  1.0 1.0
   38    33   -41    60  -0.07550 -1.0 2.0
   38    33   -41    60   0.20000  1.0 3.0
   38    33    41    43   0.86500  1.0 1.0
   38    33    41    43  -0.17500 -1.0 2.0
   38    33    41    43   0.20800  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    42    47    48   1.17450  1.0 1.0
   38    42    47    48   0.83550 -1.0 2.0
   38    42    47    49  -0.86000  1.0 1.0
   38    42    47    49   0.84650 -1.0 2.0
   38    42    60    55   0.00000  1.0 1.0
   38    42   -60    41   0.00000  1.0 1.0
   38    42    60    62   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    60   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    60   0.00000  1.0 1.0
   42    47    48    51   1.17450  1.0 1.0
   42    47    48    51   0.83550 -1.0 2.0
   42    47    48    53   1.00000 -1.0 2.0
   42    47    49    50  -1.91600  1.0 1.0
   42    47    49    50   8.35800 -1.0 2.0
   42    60   -41    33   1.26750  1.0 1.0
   42    60   -41    33  -0.00950 -1.0 2.0
   42    60   -41    33   0.30600  1.0 3.0
   42    60    41    43   4.07950  1.0 1.0
   42    60    41    43  -0.26450 -1.0 2.0
   42    60    41    43  -0.12150  1.0 3.0
   42    60    41    45   4.07950  1.0 1.0
   42    60    41    45  -0.26450 -1.0 2.0
   42    60    41    45  -0.12150  1.0 3.0
   42    60    62    63  -0.12500  1.0 1.0
   42    60    62    63  -0.12500 -1.0 2.0
   42    60    62    63   0.25000  1.0 3.0
   42    60    62    66  -0.12500  1.0 1.0
   42    60    62    66  -0.12500 -1.0 2.0
   42    60    62    66   0.25000  1.0 3.0
   47    42    60    55   0.38950  1.0 1.0
   47    42    60    55  -0.47050 -1.0 2.0
   47    42    60    55   0.83150  1.0 3.0
   47    42    60    41   0.38950  1.0 1.0
   47    42    60    41  -0.47050 -1.0 2.0
   47    42    60    41   0.83150  1.0 3.0
   47    42    60    62  -0.12500  1.0 1.0
   47    42    60    62  -0.12500 -1.0 2.0
   47    42    60    62   0.25000  1.0 3.0
   47    48    51    52   0.00000  1.0 1.0
   47    48   -51    55   0.38950  1.0 1.0
   47    48   -51    55  -0.47050 -1.0 2.0
   47    48   -51    55   0.83150  1.0 3.0
   47    48    51    57   0.38950  1.0 1.0
   47    48    51    57  -0.47050 -1.0 2.0
   47    48    51    57   0.83150  1.0 3.0
   47    48    53    54  -1.00000 -1.0 2.0
   48    47    49    50  -1.91600  1.0 1.0
   48    47    49    50   8.35800 -1.0 2.0
   48    51    55    56   0.22950  1.0 3.0
   48    51    55    60   1.26750  1.0 1.0
   48    51    55    60  -0.00950 -1.0 2.0
   48    51    55    60   0.30600  1.0 3.0
   48    51    55    70   2.20050  1.0 1.0
   48    51    55    70   0.63450 -1.0 2.0
   48    51    55    70  -0.91300  1.0 3.0
   48    51    57    58   0.22950  1.0 3.0
   48    51    57    59   0.22950  1.0 3.0
   48    51    57    61   2.03850  1.0 1.0
   48    51    57    61  -0.40600 -1.0 2.0
   51    48    53    54  -1.00000 -1.0 2.0
   51    55   -60    42   1.26750  1.0 1.0
   51    55   -60    42  -0.00950 -1.0 2.0
   51    55   -60    42   0.30600  1.0 3.0
   51    55    60    41   0.56750  1.0 1.0
   51    55    60    41  -0.07550 -1.0 2.0
   51    55    60    41   0.20000  1.0 3.0
   51    55    60    62   1.26750  1.0 1.0
   51    55    60    62  -0.00950 -1.0 2.0
   51    55    60    62   0.30600  1.0 3.0
   51    55    70    66   0.38950  1.0 1.0
   51    55    70    66  -0.47050 -1.0 2.0
   51    55    70    66   0.83150  1.0 3.0
   51    55    70    71   0.00000  1.0 1.0
   51    57    61    64  -0.25900  1.0 1.0
   51    57    61    64  -0.47000 -1.0 2.0
   51    57    61    64   0.11750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    70   0.22950  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.23400  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    61   0.62750  1.0 1.0
   55    51    57    61  -0.30950 -1.0 2.0
   55    51    57    61   0.27300  1.0 3.0
   55    60    41    33   0.56750  1.0 1.0
   55    60    41    33  -0.07550 -1.0 2.0
   55    60    41    33   0.20000  1.0 3.0
   55    60    41    43   0.86500  1.0 1.0
   55    60    41    43  -0.17500 -1.0 2.0
   55    60    41    43   0.20800  1.0 3.0
   55    60    41    45   0.86500  1.0 1.0
   55    60    41    45  -0.17500 -1.0 2.0
   55    60    41    45   0.20800  1.0 3.0
   55    60    62    63   0.00000  1.0 1.0
   55    60   -62    66   0.38950  1.0 1.0
   55    60   -62    66  -0.47050 -1.0 2.0
   55    60   -62    66   0.83150  1.0 3.0
   56    55    60    42   0.22950  1.0 3.0
   56    55    60    41   0.15000  1.0 3.0
   56    55    60    62   0.22950  1.0 3.0
   56    55    70    66   0.00000  1.0 1.0
   56    55    70    71   0.00000  1.0 1.0
   60    42   -47    48   1.17450  1.0 1.0
   60    42   -47    48   0.83550 -1.0 2.0
   60    42    47    49  -0.86000  1.0 1.0
   60    42    47    49   0.84650 -1.0 2.0
   60    55   -70    66   0.38950  1.0 1.0
   60    55   -70    66  -0.47050 -1.0 2.0
   60    55   -70    66   0.83150  1.0 3.0
   60    55    70    71   0.00000  1.0 1.0
   60    41    43    44  -0.11600  1.0 1.0
   60    41    43    44  -0.09450 -1.0 2.0
   60    41    43    44   0.21250  1.0 3.0
   60    41    45    46  -0.11600  1.0 1.0
   60    41    45    46  -0.09450 -1.0 2.0
   60    41    45    46   0.21250  1.0 3.0
   60    62   -66    70   1.17450  1.0 1.0
   60    62   -66    70   0.83550 -1.0 2.0
   60    62    66    72  -0.86000  1.0 1.0
   60    62    66    72   0.84650 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   1.26750  1.0 1.0
   41    33   -38    42  -0.00950 -1.0 2.0
   41    33   -38    42   0.30600  1.0 3.0
   41    60    62    63   0.00000  1.0 1.0
   41    60    62    66   0.38950  1.0 1.0
   41    60    62    66  -0.47050 -1.0 2.0
   41    60    62    66   0.83150  1.0 3.0
   43    41    45    46   0.13450  1.0 1.0
   43    41    45    46  -0.58300 -1.0 2.0
   43    41    45    46   0.14300  1.0 3.0
   45    41    43    44   0.13450  1.0 1.0
   45    41    43    44  -0.58300 -1.0 2.0
   45    41    43    44   0.14300  1.0 3.0
   62    60    41    33   1.26750  1.0 1.0
   62    60    41    33  -0.00950 -1.0 2.0
   62    60    41    33   0.30600  1.0 3.0
   62    60    41    43   4.07950  1.0 1.0
   62    60    41    43  -0.26450 -1.0 2.0
   62    60    41    43  -0.12150  1.0 3.0
   62    60    41    45   4.07950  1.0 1.0
   62    60    41    45  -0.26450 -1.0 2.0
   62    60    41    45  -0.12150  1.0 3.0
   62    66   -70    55   1.17450  1.0 1.0
   62    66   -70    55   0.83550 -1.0 2.0
   62    66    70    71   1.00000 -1.0 2.0
   62    66    72    73  -1.91600  1.0 1.0
   62    66    72    73   8.35800 -1.0 2.0
   63    62    66    70   1.00000 -1.0 2.0
   63    62    66    72   1.50000 -1.0 2.0
   70    55    60    42   2.20050  1.0 1.0
   70    55    60    42   0.63450 -1.0 2.0
   70    55    60    42  -0.91300  1.0 3.0
   70    55    60    41   1.26750  1.0 1.0
   70    55    60    41  -0.00950 -1.0 2.0
   70    55    60    41   0.30600  1.0 3.0
   70    55   -60    62   2.20050  1.0 1.0
   70    55   -60    62   0.63450 -1.0 2.0
   70    55   -60    62  -0.91300  1.0 3.0
   70    66    72    73  -1.91600  1.0 1.0
   70    66    72    73   8.35800 -1.0 2.0
   72    66    70    55  -0.86000  1.0 1.0
   72    66    70    55   0.84650 -1.0 2.0
   72    66    70    71   1.50000 -1.0 2.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    60   0.56750  1.0 1.0
   57    51    55    60  -0.07550 -1.0 2.0
   57    51    55    60   0.20000  1.0 3.0
   57    51    55    70   1.26750  1.0 1.0
   57    51    55    70  -0.00950 -1.0 2.0
   57    51    55    70   0.30600  1.0 3.0
   57    61    64    65   3.00000 -1.0 2.0
   57    61    64    67  -0.80800  1.0 1.0
   57    61    64    67   2.06850 -1.0 2.0
   58    57    61    64   0.08050  1.0 3.0
   59    57    61    64   0.08050  1.0 3.0
   61    64    67    68   2.56700 -1.0 2.0
   61    64    67    69   2.56700 -1.0 2.0
   65    64    67    68   2.45000 -1.0 2.0
   65    64    67    69   2.45000 -1.0 2.0
   53    48    51    52   0.00000  1.0 1.0
   53    48    51    55   0.61050  1.0 1.0
   53    48    51    55  -0.39800 -1.0 2.0
   53    48    51    55   0.77800  1.0 3.0
   53    48    51    57   0.61050  1.0 1.0
   53    48    51    57  -0.39800 -1.0 2.0
   53    48    51    57   0.77800  1.0 3.0
   49    47    48    51  -0.86000  1.0 1.0
   49    47    48    51   0.84650 -1.0 2.0
   49    47    48    53   1.00000 -1.0 2.0
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
   60    47    42    38   1.00000 -1.0 2.0
   42    48    47    49  10.50000 -1.0 2.0
   53    47    48    51   1.00000 -1.0 2.0
   63    66    62    60   1.00000 -1.0 2.0
   62    70    66    72  10.50000 -1.0 2.0
   71    66    70    55   1.00000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
   69    64    67    68   1.00000 -1.0 2.0
END
