* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    130    199     373
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096    69.15386   -98.02016
    3     1 S   H    _H1_     3     1.02090   104.29296     6.85048
    4     1 S   H    _H2_     4     1.02105    43.90697   109.12938
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C11    36     1.85677    97.29148   161.86251
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.54970   109.12446   -60.02922
   38    33 S   CT   _C15    64     1.54596   107.35373  -178.94168
   39    38 S   HC   _H33    65     1.08348   108.89387    58.53120
   40    38 S   HC   _H34    66     1.08255   108.94641   -62.41702
   41    37 S   N4   _N13    38     1.36704   118.39614   126.51359
   42    37 S   CMA  _C6_    60     1.34785   122.06518   -60.02877
   43    42 S   OM   _O16    61     1.26452   126.15898    -0.07662
   44    38 S   OS   _O21    67     1.40911   107.74515   177.99201
   45    41 S   C4   _C5_    39     1.35490   137.26213   162.51186
   46    45 S   O    _O17    40     1.20924   134.44685     7.62761
   47    41 S   C4T  _C10    42     1.44960   126.13555   -15.19176
   48    47 S   HC   _H26    43     1.09623   112.57992   -76.49983
   49    42 S   OH   _O20    62     1.40681   111.71019   179.97202
   50    49 S   HO   _H38    63     0.97304   105.42096   179.93439
   51    44 S   CO4  _C8_    68     1.37415   116.59398  -179.98022
   52    51 S   O    _O19    69     1.22631   124.43580    -0.01978
   53    45 S   C4T  _C12    41     1.55176    89.79831  -168.24703
   54    47 S   S    _S23    44     1.80713   109.68928    51.75134
   55    51 S   N    _N14    70     1.37367   111.25266  -179.95154
   56    55 S   H    _H35    71     1.01428   119.27507   179.95577
   57    55 S   H    _H36    72     1.01426   121.38389    -0.01978
   58    33 S   CT   _C9_    45     1.55770   104.77450    66.34981
   59    58 S   HC   _H24    46     1.06686   111.60113   -38.27399
   60    58 S   HC   _H25    47     1.07019   109.18362    83.59557
   61    53 S   CT   _C14    48     1.51139   113.27602   113.59550
   62    61 S   HC   _H30    49     1.09352   110.58314  -180.00000
   63    61 S   HC   _H31    50     1.09492   110.52714    60.09453
   64    61 S   HC   _H32    51     1.09387   110.70772   -59.90351
   65    53 S   N    _N15    52     1.46512   113.06734  -122.73210
   66    65 S   H    _H37    53     1.00651   118.78487   120.11030
   67    65 S   C    _C7_    54     1.37154   122.46155   -60.03794
   68    67 S   O    _O18    55     1.22534   127.15793     0.01978
   69    67 S   CT   _C13    56     1.49319   113.30926   179.95154
   70    69 S   HC   _H27    57     1.10171   112.44505    89.95992
   71    69 S   HC   _H28    58     1.10112   112.43331  -151.34019
   72    69 S   HC   _H29    59     1.10203   115.29377   -30.72480
  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  12   5   4   3
  16   2   1   1  18  12   4   3  12   6   2   6  12   4  13   5
   1   1   4   3  11   5   2   1   1   2   1   1   6   3   2   1
   7   3   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    58    59    60    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    47    54    58    59    60    42    43    49    38    39    40    44    51  
   35    36  
   36  
    0  
   41    45    46    53    47    48    54    58    59    60    42    43    49    50    38    39    40    44  
   39    40    44    51    52    55    41    42    54    58    59    60  
   40    44    51    58  
   44    51    58  
   45    46    53    47    48    54    58    61    65    42    43    49  
   43    49    50    45    47    58  
   49    50  
   51    52    55    56    57    58  
   46    53    47    48    54    61    62    63    64    65    66    67  
   53    47    61    65  
   48    54    58    59    60    61    62    63    64    65    66    67    53  
   54    58    61    65    53  
   50  
    0  
   52    55    56    57  
   55    56    57  
   54    58    61    62    63    64    65    66    67    68    69  
   58    59    60    61    65  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   53   3.5000   0.0660   0.027700   1.9750   1.7500   0.005000000  -0.741685710
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    58   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    53   250.000  1.540
   53    47   268.000  1.529
   53    61   260.000  1.519
   53    65   337.000  1.449
   47    48   340.000  1.090
   47    54   200.000  1.824
   54    58   222.000  1.810
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   434.000  1.010
   65    67   490.000  1.335
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   42    43   745.000  1.250
   42    49   510.000  1.338
   49    50   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    51   214.000  1.327
   51    52   570.000  1.229
   51    55   435.000  1.380
   55    56   434.000  1.010
   55    57   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    58    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    58    54    75.00000  111.63000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  121.38400
   41    45    46    75.00000  131.60000
   41    45    53    95.00000   92.72400
   41    47    53   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    54    80.00000  108.62000
   45    53    47   100.00000   86.36000
   45    53    61    63.00000  111.10000
   45    53    65    75.00000  110.24000
   53    45    46    60.00000  136.58000
   53    47    48    37.50000  110.70000
   53    47    54    65.00000  119.05700
   53    61    62    45.00000  111.22300
   53    61    63    45.00000  111.22300
   53    61    64    45.00000  111.22300
   53    65    66    38.00000  118.40000
   53    65    67    50.00000  121.90000
   47    41    45   100.00000   93.00000
   47    54    58    85.00000   99.86700
   54    47    48    45.00000  109.41400
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   58    33    37    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    53    47    65.00000  119.52000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    53    47    80.00000  110.05700
   65    53    61    80.00000  110.05700
   65    67    68    80.00000  122.90000
   65    67    69    70.00000  116.60000
   67    65    66    35.00000  119.80000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   69    67    68    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   42    37    41    75.00000  120.83300
   42    49    50    70.00000  107.45700
   49    42    43   115.00000  116.36000
   38    33    37    70.00000  112.02700
   38    33    58    58.35000  112.70000
   38    44    51    83.00000  116.90000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    51    52    83.00000  123.40000
   44    51    55   110.00000  108.75700
   51    55    56    50.00000  116.34900
   51    55    57    50.00000  116.34900
   55    51    52    85.00000  125.96000
   57    55    56    35.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    58    54   0.56750  1.0 1.0
   29    33    58    54  -0.07550 -1.0 2.0
   29    33    58    54   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37    41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    51  -0.25900  1.0 1.0
   33    38    44    51  -0.47000 -1.0 2.0
   33    38    44    51   0.11750  1.0 3.0
   37    33    58    54   0.56750  1.0 1.0
   37    33    58    54  -0.07550 -1.0 2.0
   37    33    58    54   0.20000  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    53   3.00000 -1.0 2.0
   37    41   -47    53   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    54   0.00000  1.0 1.0
   37    42    49    50  -0.66100  1.0 1.0
   37    42    49    50   1.20850 -1.0 2.0
   37    42    49    50  -0.36000  1.0 3.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45   -53    47   3.00000 -1.0 2.0
   41    45    53    61   1.39750  1.0 1.0
   41    45    53    61  -0.07950 -1.0 2.0
   41    45    53    61  -0.18750  1.0 3.0
   41    45    53    65   0.00000  1.0 1.0
   41    47    54    58   0.01700  1.0 1.0
   41    47    54    58  -0.23550 -1.0 2.0
   41    47    54    58   0.21350  1.0 3.0
   45    41   -47    53   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    54   0.00000  1.0 1.0
   45    53   -47    41   3.00000 -1.0 2.0
   45    53   -47    48   0.15000  1.0 3.0
   45    53   -47    54   0.00000  1.0 1.0
   45    53    61    62  -0.11250  1.0 3.0
   45    53    61    63  -0.11250  1.0 3.0
   45    53    61    64  -0.11250  1.0 3.0
   45    53    65    66   0.00000  1.0 1.0
   45    53    65    67  -0.42300  1.0 1.0
   45    53    65    67  -0.07000 -1.0 2.0
   45    53    65    67   0.04150  1.0 3.0
   46    45    53    47  -0.11250  1.0 1.0
   46    45    53    47   0.11400 -1.0 2.0
   46    45    53    47  -0.28950  1.0 3.0
   46    45    53    61   0.30150 -1.0 2.0
   46    45    53    65   0.30150 -1.0 2.0
   53    47    54    58   0.25150  1.0 1.0
   53    47    54    58  -1.17200 -1.0 2.0
   53    47    54    58   0.53050  1.0 3.0
   53    65    67    68   3.04450 -1.0 2.0
   53    65    67    69   1.49850  1.0 1.0
   53    65    67    69   1.53950 -1.0 2.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    53   3.00000 -1.0 2.0
   47    53    61    62   0.00000  1.0 1.0
   47    53    61    63   0.00000  1.0 1.0
   47    53    61    64   0.00000  1.0 1.0
   47    53    65    66   0.00000  1.0 1.0
   47    53    65    67  -0.43950  1.0 1.0
   47    53    65    67  -0.08100 -1.0 2.0
   47    53    65    67   0.03350  1.0 3.0
   47    54   -58    33  -0.25000 -1.0 2.0
   47    54   -58    33  -0.01800  1.0 3.0
   47    54    58    59   0.32350  1.0 3.0
   47    54    58    60   0.32350  1.0 3.0
   48    47    54    58   0.00000  1.0 1.0
   58    33   -37    41  -0.93550  1.0 1.0
   58    33   -37    41   0.38900 -1.0 2.0
   58    33   -37    41   0.16950  1.0 3.0
   58    33    37    42   0.09850  1.0 1.0
   58    33    37    42   0.15250 -1.0 2.0
   58    33    37    42  -0.50650  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33    38    44   0.62750  1.0 1.0
   58    33    38    44  -0.30950 -1.0 2.0
   58    33    38    44   0.27300  1.0 3.0
   61    53   -47    41   0.43900  1.0 1.0
   61    53   -47    41   0.49100 -1.0 2.0
   61    53   -47    41   0.28400  1.0 3.0
   61    53    47    48   0.15000  1.0 3.0
   61    53    47    54   0.44750  1.0 1.0
   61    53    47    54  -0.17800 -1.0 2.0
   61    53    47    54   0.20200  1.0 3.0
   61    53    65    66   0.00000  1.0 1.0
   61    53    65    67  -0.43950  1.0 1.0
   61    53    65    67  -0.08100 -1.0 2.0
   61    53    65    67   0.03350  1.0 3.0
   65    53   -47    41   2.20050  1.0 1.0
   65    53   -47    41   0.63450 -1.0 2.0
   65    53   -47    41  -0.91300  1.0 3.0
   65    53    47    48   0.15000  1.0 3.0
   65    53    47    54   0.00000  1.0 1.0
   65    53    61    62   0.15000  1.0 3.0
   65    53    61    63   0.15000  1.0 3.0
   65    53    61    64   0.15000  1.0 3.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.00000  1.0 1.0
   65    67    69    72   0.00000  1.0 1.0
   66    65    67    68   2.45000 -1.0 2.0
   66    65    67    69   2.45000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.00000  1.0 1.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   43    42    49    50   2.00000 -1.0 2.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    58    54   0.44750  1.0 1.0
   38    33    58    54  -0.17800 -1.0 2.0
   38    33    58    54   0.20200  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    44    51    52   3.00000 -1.0 2.0
   38    44    51    55  -0.80800  1.0 1.0
   38    44    51    55   2.06850 -1.0 2.0
   39    38    44    51   0.08050  1.0 3.0
   40    38    44    51   0.08050  1.0 3.0
   44    51    55    56   2.56700 -1.0 2.0
   44    51    55    57   2.56700 -1.0 2.0
   52    51    55    56   2.45000 -1.0 2.0
   52    51    55    57   2.45000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   47    45    41    37   1.00000 -1.0 2.0
   41    53    45    46  10.50000 -1.0 2.0
   66    67    65    53   1.00000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   44    55    51    52  10.50000 -1.0 2.0
   57    51    55    56   1.00000 -1.0 2.0
END
