* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    126    203     370
    1     0 S   NP   _N1_     1    28.80592    96.05723   -21.44260
    2     1 S   H    _HN1     2     1.02942    76.34701     2.21001
    3     1 S   H    _H1_     3     1.02823    39.81846   142.20641
    4     1 S   H    _H2_     4     1.02785    94.88053  -105.51773
    5     1 S   CT   _CA1     5     1.50167   147.05698   108.77095
    6     5 S   HC   _HA1     6     1.09569   105.17293    81.67473
    7     5 S   CO3  _C1_     7     1.53858   112.08014   -38.52065
    8     7 S   O2Z  _O11     8     1.26407   114.99096   -47.57189
    9     7 S   O2Z  _O12     9     1.26208   114.95589   131.01719
   10     5 S   CT   _CB1    10     1.53053   107.32697  -160.39097
   11    10 S   HC   HB11    11     1.09834   109.56400   -47.58710
   12    10 S   HC   HB12    12     1.09808   110.44960    69.10394
   13    10 S   CT   _CG1    13     1.52952   112.52415  -168.43004
   14    13 S   HC   HG11    14     1.09436   110.57633   -62.00833
   15    13 S   HC   HG12    15     1.09663   109.84187    57.01391
   16    13 S   C    _CD1    16     1.51842   112.09343   177.26505
   17    16 S   O    _OE1    17     1.22766   123.26868     2.33816
   18    16 S   N    _N2_    18     1.38514   111.84091  -177.10538
   19    18 S   H    _HN2    19     1.01808   119.03481    -2.21823
   20    18 S   CT1  _CA2    20     1.46168   123.75491   178.59444
   21    20 S   HC   _HA2    21     1.09738   109.00840    11.60076
   22    20 S   C    _C2_    22     1.53670   109.70102  -104.29956
   23    22 S   O    _O2_    23     1.23141   122.01617  -151.34728
   24    20 S   CT   _CB2    32     1.53535   111.46564   133.23171
   25    24 S   HC   HB21    33     1.09255   109.91054    62.65859
   26    24 S   HC   HB22    34     1.09571   109.95701   179.83449
   27    22 S   N    _N3_    24     1.38264   114.21316    36.33081
   28    27 S   H    _HN3    25     1.01525   119.67957    -3.95948
   29    24 S   S    _SG2    35     1.83195   111.31474   -62.00169
   30    27 S   CT   _CA3    26     1.45286   123.13077   176.91783
   31    30 S   HC   HA31    27     1.09554   107.59030   -62.21360
   32    30 S   HC   HA32    28     1.09560   107.86562    54.17244
   33    29 S   CT   _C20    36     1.92017   102.89685   135.16699
   34    30 S   CO3  _C3_    29     1.52944   114.19757   176.12647
   35    34 S   O2Z  _O31    30     1.26362   116.13822    -0.00000
   36    34 S   O2Z  _O32    31     1.26446   114.39284  -179.97202
   37    33 S   CA   _C14    37     1.56766   107.75112    49.08166
   38    33 S   CT   _C18    48     1.57940   102.78143   162.59102
   39    38 S   HC   _H35    49     1.09668   110.85114    56.62671
   40    38 S   HC   _H36    50     1.09773   112.19693   -60.69964
   41    33 S   CT   _C19    58     1.62860   114.01310   -79.46844
   42    41 S   OM   _O21    59     1.32633   111.49559    51.15557
   43    41 S   HC   _H37    60     1.09737   100.24111   176.64993
   44    37 S   CA   _C7_    38     1.41520   120.52455    52.79326
   45    44 S   HA   _H28    39     1.08750   120.79034    -0.68927
   46    38 S   NA   _N20    51     1.45175   116.46668   177.98404
   47    41 S   CA   _C15    61     1.54802   119.57432   -72.17928
   48    44 S   CA   _C9_    40     1.39691   121.80386   179.48376
   49    48 S   HA   _H30    41     1.08525   120.28550   179.82529
   50    46 S   CRA  _C13    52     1.36290   127.48645  -116.20858
   51    50 S   HA   _H34    53     1.08084   123.75543     3.49620
   52    47 S   CA   _C6_    62     1.40896   122.04623    46.49559
   53    52 S   HA   _H27    63     1.08229   121.33758     0.45241
   54    48 S   CA   _C16    42     1.38581   119.43267    -0.24708
   55    54 S   F    _F22    43     1.34000   119.66858  -179.96044
   56    50 S   N5B  _N18    54     1.31315   109.75931  -176.51552
   57    52 S   CA   _C4_    64     1.39842   121.99259   178.92735
   58    57 S   HA   _H25    65     1.08654   119.80944  -179.66312
   59    54 S   CA   _C10    44     1.38665   120.66365    -0.07662
   60    59 S   HA   _H31    45     1.08557   120.16182  -179.78060
   61    56 S   CRB  _C12    55     1.36442   102.48375     1.48240
   62    61 S   HA   _H33    56     1.07999   123.18783   179.83331
   63    57 S   CA   _C5_    66     1.38769   120.24162    -0.77430
   64    63 S   HA   _H26    67     1.08577   120.16685  -179.28482
   65    37 S   CA   _C8_    46     1.40857   122.66587  -128.32364
   66    65 S   HA   _H29    47     1.08528   121.75780     0.33102
   67    46 S   N5A  _N19    57     1.34523   121.41647    70.75542
   68    63 S   CA   _C11    68     1.38983   119.54979    -0.47147
   69    68 S   HA   _H32    69     1.08731   118.92124  -178.90854
   70    47 S   CA   _C17    70     1.41858   121.44240  -136.67469
   71    70 S   Cl   CL24    71     1.73515   122.68849     0.51244
  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
  19   2   1   1  17  14   5   4  12   4   3   8   4   6   9   6
   3   5   3   8   4   5   3   3   6   3   3   2   2   1   5   3
   1   1   1   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    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    65    38    39    40    46    41    42    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    45    48    59    65    66    38    39    40    46    50    67    41    42    43    47    52    70  
   35    36  
   36  
    0  
   44    45    48    49    54    59    60    65    66    38    39    40    46    41    42    43    47  
   39    40    46    50    51    56    61    67    41    42    43    47    44    65  
   40    46    50    67    41  
   46    50    67    41  
   42    43    47    52    53    57    68    70    71    44    46    65  
   43    47    52    70  
   47    52    70  
   45    48    49    54    55    59    65    66  
   48    49    54    65  
   50    51    56    61    62    67  
   52    53    57    58    63    68    69    70    71  
   49    54    55    59    60    65  
   54    55    59  
   51    56    61    62    67  
   56    61    67  
   53    57    58    63    64    68    70    71  
   57    58    63    70  
   55    59    60    65    66  
   59    60    65  
   61    62    67  
   58    63    64    68    69    70  
   63    64    68  
   60    65    66  
   65    66  
   62    67  
   67  
   64    68    69    70    71  
   68    69    70  
   66  
    0  
    0  
   69    70    71  
   70    71  
   71  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.2500   0.1700   0.065600   1.8000   1.6000   0.001000000  -0.511443539
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.277800   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.114600   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   56   3.2800   0.1700  -0.632900   1.8000   1.6000   0.001000000  -0.511443539
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.528100   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.052500   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.2800   0.1700  -0.528200   1.8000   1.6000   0.001000000  -0.511443539
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    38   268.000  1.529
   33    41   268.000  1.529
   37    44   469.000  1.400
   37    65   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   420.000  1.354
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    46   320.000  1.443
   46    50   477.000  1.343
   46    67   400.000  1.349
   50    51   367.000  1.080
   50    56   488.000  1.335
   56    61   470.000  1.361
   61    62   395.000  1.080
   61    67   550.000  1.323
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    52   469.000  1.400
   47    70   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   300.000  1.725
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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    44    70.00000  120.00000
   33    37    65    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    46    75.00000  111.19500
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    47    70.00000  112.17500
   37    44    45    35.00000  120.00000
   37    44    48    63.00000  120.00000
   37    65    59    63.00000  120.00000
   37    65    66    35.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    54    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    54    55    80.00000  120.00000
   48    54    59    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    65    63.00000  120.00000
   59    54    55    80.00000  120.00000
   59    65    66    35.00000  120.00000
   65    37    44    63.00000  120.00000
   65    59    60    35.00000  120.00000
   38    33    37    70.00000  112.17500
   38    46    50    60.00000  127.66100
   38    46    67    75.00000  118.68000
   40    38    39    33.00000  107.80000
   46    38    39    50.00000  108.61900
   46    38    40    50.00000  108.61900
   46    50    51    35.00000  120.00000
   46    50    56    70.00000  120.00000
   46    67    61   115.00000  101.71600
   50    56    61   105.00000  102.26600
   56    50    51    35.00000  120.00000
   56    61    62    40.00000  123.47600
   56    61    67    85.00000  115.28900
   67    46    50    95.00000  110.06400
   67    61    62    45.00000  122.26300
   41    33    37    70.00000  112.17500
   41    33    38    58.35000  112.70000
   41    47    52    70.00000  120.00000
   41    47    70    70.00000  120.00000
   43    41    42    45.00000  125.66300
   47    41    42    85.00000  111.85700
   47    41    43    35.00000  109.50000
   47    52    53    35.00000  120.00000
   47    52    57    63.00000  120.00000
   47    70    68    63.00000  120.00000
   47    70    71    75.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    63    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    68    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    70    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    70    71    75.00000  120.00000
   70    47    52    63.00000  120.00000
   70    68    69    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    37    44  -0.16000  1.0 1.0
   29    33    37    44  -0.03200 -1.0 2.0
   29    33    37    44   0.04500  1.0 3.0
   29    33    37    65  -0.16000  1.0 1.0
   29    33    37    65  -0.03200 -1.0 2.0
   29    33    37    65   0.04500  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    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    37    44    45   3.62500 -1.0 2.0
   33    37    44    48   3.62500 -1.0 2.0
   33    37    65    59   3.62500 -1.0 2.0
   33    37    65    66   3.62500 -1.0 2.0
   33    38    46    50   1.10250  1.0 1.0
   33    38    46    50   0.01650 -1.0 2.0
   33    38    46    50   0.39100  1.0 3.0
   33    38    46    67   0.68100  1.0 1.0
   33    38    46    67   0.03350 -1.0 2.0
   33    38    46    67   0.36200  1.0 3.0
   33    41    47    52   0.04150 -1.0 2.0
   33    41    47    70   0.04150 -1.0 2.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    46   0.56750  1.0 1.0
   37    33    38    46  -0.07550 -1.0 2.0
   37    33    38    46   0.20000  1.0 3.0
   37    33    41    42  -0.64350  1.0 1.0
   37    33    41    42  -0.04200 -1.0 2.0
   37    33    41    42   0.19800  1.0 3.0
   37    33    41    43   0.43200  1.0 3.0
   37    33    41    47  -0.94300  1.0 1.0
   37    33    41    47   1.32550 -1.0 2.0
   37    33    41    47  -0.07100  1.0 3.0
   37    44    48    49   3.62500 -1.0 2.0
   37    44    48    54   3.62500 -1.0 2.0
   44    37    65    59   3.62500 -1.0 2.0
   44    37    65    66   3.62500 -1.0 2.0
   44    48    54    55   3.62500 -1.0 2.0
   44    48   -54    59   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    54   3.62500 -1.0 2.0
   48    54    59    60   3.62500 -1.0 2.0
   48    54    59    65   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    59   3.62500 -1.0 2.0
   54    59   -65    37   3.62500 -1.0 2.0
   54    59    65    66   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    65   3.62500 -1.0 2.0
   60    59    65    37   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   65    37    44    45   3.62500 -1.0 2.0
   65    37   -44    48   3.62500 -1.0 2.0
   38    33    37    44   0.04150 -1.0 2.0
   38    33    37    65   0.04150 -1.0 2.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    47  -0.03700  1.0 1.0
   38    33    41    47   0.37200 -1.0 2.0
   38    33    41    47  -0.47300  1.0 3.0
   38    46    50    51   3.62500 -1.0 2.0
   38    46    50    56   3.62500 -1.0 2.0
   38    46    67    61   3.62500 -1.0 2.0
   39    38    46    50   0.00000  1.0 1.0
   39    38    46    67   0.00000  1.0 1.0
   40    38    46    50   0.00000  1.0 1.0
   40    38    46    67   0.00000  1.0 1.0
   46    50   -56    61   3.62500 -1.0 2.0
   50    46   -67    61   3.62500 -1.0 2.0
   50    56    61    62   3.62500 -1.0 2.0
   50    56   -61    67   3.62500 -1.0 2.0
   51    50    56    61   3.62500 -1.0 2.0
   56    61   -67    46   3.62500 -1.0 2.0
   62    61    67    46   3.62500 -1.0 2.0
   67    46    50    51   3.62500 -1.0 2.0
   67    46   -50    56   3.62500 -1.0 2.0
   41    33    37    44   0.04150 -1.0 2.0
   41    33    37    65   0.04150 -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    46  -0.64600  1.0 1.0
   41    33    38    46   0.58400 -1.0 2.0
   41    47    52    53   3.62500 -1.0 2.0
   41    47    52    57   3.62500 -1.0 2.0
   41    47    70    68   3.62500 -1.0 2.0
   41    47    70    71   3.62500 -1.0 2.0
   42    41    47    52   0.64500  1.0 1.0
   42    41    47    52   0.14800 -1.0 2.0
   42    41    47    52   0.20650  1.0 3.0
   42    41    47    70   0.64500  1.0 1.0
   42    41    47    70   0.14800 -1.0 2.0
   42    41    47    70   0.20650  1.0 3.0
   43    41    47    52   0.00000  1.0 1.0
   43    41    47    70   0.00000  1.0 1.0
   47    52    57    58   3.62500 -1.0 2.0
   47    52    57    63   3.62500 -1.0 2.0
   52    47    70    68   3.62500 -1.0 2.0
   52    47    70    71   3.62500 -1.0 2.0
   52    57    63    64   3.62500 -1.0 2.0
   52    57   -63    68   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    63   3.62500 -1.0 2.0
   57    63    68    69   3.62500 -1.0 2.0
   57    63    68    70   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    68   3.62500 -1.0 2.0
   63    68   -70    47   3.62500 -1.0 2.0
   63    68    70    71   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    70   3.62500 -1.0 2.0
   69    68    70    47   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    47    52    53   3.62500 -1.0 2.0
   70    47   -52    57   3.62500 -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
   44    65    37    33   4.00000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   59    55    54    48   4.00000 -1.0 2.0
   65    60    59    54   1.10000 -1.0 2.0
   59    66    65    37   1.10000 -1.0 2.0
   50    67    46    38   4.00000 -1.0 2.0
   56    51    50    46   1.10000 -1.0 2.0
   67    62    61    56   1.10000 -1.0 2.0
   52    70    47    41   4.00000 -1.0 2.0
   57    53    52    47   1.10000 -1.0 2.0
   63    58    57    52   1.10000 -1.0 2.0
   68    64    63    57   1.10000 -1.0 2.0
   70    69    68    63   1.10000 -1.0 2.0
   68    71    70    47   4.00000 -1.0 2.0
END
