* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    136    220     408
    1     0 S   NP   _N1_     1    28.67340    96.77903   -22.49485
    2     1 S   H    _HN1     2     1.02786    98.71419   -89.57397
    3     1 S   H    _H1_     3     1.02950    71.14315    16.95460
    4     1 S   H    _H2_     4     1.02828    42.44515   163.39398
    5     1 S   CT   _CA1     5     1.50113   145.75083   115.74865
    6     5 S   HC   _HA1     6     1.09573   105.19336    91.48356
    7     5 S   CO3  _C1_     7     1.53787   112.46580   -28.74861
    8     7 S   O2Z  _O11     8     1.26372   115.00667   -42.48632
    9     7 S   O2Z  _O12     9     1.26240   114.94641   136.63848
   10     5 S   CT   _CB1    10     1.53077   107.41692  -150.53513
   11    10 S   HC   HB11    11     1.09833   109.36636   -49.71562
   12    10 S   HC   HB12    12     1.09812   110.45037    66.89143
   13    10 S   CT   _CG1    13     1.52989   112.60828  -170.69253
   14    13 S   HC   HG11    14     1.09581   110.63394   -65.78148
   15    13 S   HC   HG12    15     1.09670   109.78377    53.45217
   16    13 S   C    _CD1    16     1.51798   112.21533   173.90252
   17    16 S   O    _OE1    17     1.22731   123.28696     7.13309
   18    16 S   N    _N2_    18     1.38658   111.67859  -172.94159
   19    18 S   H    _HN2    19     1.01578   118.94098     1.69073
   20    18 S   CT1  _CA2    20     1.46198   123.37488   177.40897
   21    20 S   HC   _HA2    21     1.09742   109.36652     3.21711
   22    20 S   C    _C2_    22     1.53582   108.62474  -112.23424
   23    22 S   O    _O2_    23     1.23063   122.26803  -148.05124
   24    20 S   CT   _CB2    32     1.53505   111.66080   125.23435
   25    24 S   HC   HB21    33     1.09498   109.54221    56.00312
   26    24 S   HC   HB22    34     1.09275   109.58595   174.82577
   27    22 S   N    _N3_    24     1.38319   113.73432    39.39579
   28    27 S   H    _HN3    25     1.01580   119.60280    -3.26788
   29    24 S   S    _SG2    35     1.82977   111.10362   -64.52717
   30    27 S   CT   _CA3    26     1.45288   123.22496   177.15476
   31    30 S   HC   HA31    27     1.09549   107.50838   -64.69825
   32    30 S   HC   HA32    28     1.09556   107.98962    51.74406
   33    29 S   CT   _C16    36     1.88285   102.48585  -172.39630
   34    30 S   CO3  _C3_    29     1.52964   114.07235   173.74665
   35    34 S   O2Z  _O31    30     1.26377   116.06805    -0.54104
   36    34 S   O2Z  _O32    31     1.26427   114.41423   179.51786
   37    33 S   CT   _C12    37     1.54196   109.52445    71.58695
   38    37 S   HC   _H27    38     1.09604   110.36169   -53.85414
   39    37 S   HC   _H28    39     1.09541   110.92513  -169.80142
   40    33 S   CT   _C14    51     1.55189   107.01245  -168.25508
   41    40 S   HC   _H31    52     1.10174   106.41669    47.78845
   42    37 S   CA   _C8_    40     1.50748   113.98491    69.86640
   43    40 S   CO   _C17    53     1.55091   113.67186   164.53563
   44    42 S   CA   _C5_    41     1.40547   118.26083  -158.58205
   45    44 S   HA   _H25    42     1.08785   120.19073     1.15538
   46    43 S   OS   _O20    54     1.43251   109.32910   -51.91877
   47    43 S   CT   _C18    66     1.53285   111.86408  -168.59917
   48    47 S   HC   _H33    67     1.09693   110.27907   172.46097
   49    47 S   HC   _H34    68     1.09514   111.39445    54.13415
   50    47 S   HC   _H35    69     1.09414   112.07887   -68.90378
   51    43 S   OH   _O22    70     1.42555   110.80932    70.94094
   52    51 S   HO   _H39    71     0.97222   107.62086   165.67291
   53    44 S   CA   _C4_    43     1.39322   120.88359  -178.89997
   54    53 S   HA   _H24    44     1.08610   120.06888  -179.70993
   55    46 S   CT   _C15    55     1.42795   114.22350    60.80458
   56    55 S   HC   _H32    56     1.09535   109.65487    57.97780
   57    53 S   CA   _C6_    45     1.39028   119.82307     0.40300
   58    57 S   HA   _H26    46     1.08672   119.70550  -180.00000
   59    33 S   CT   _C13    57     1.54441   109.08268   -50.35757
   60    59 S   HC   _H29    58     1.09652   110.84709    72.78314
   61    59 S   HC   _H30    59     1.09910   109.01263   -45.34438
   62    55 S   CT   _C19    60     1.52958   107.62931   176.60437
   63    62 S   HC   _H36    61     1.09716   109.72676   168.69559
   64    62 S   HC   _H37    62     1.09779   109.64886    50.40995
   65    57 S   CA   _C9_    47     1.39531   119.91791     0.19383
   66    62 S   CO3  _C11    63     1.53386   115.58459   -70.99946
   67    66 S   O2Z  _O17    64     1.26557   113.96181   169.81275
   68    66 S   O2Z  _O19    65     1.26125   116.83536   -10.83256
   69    42 S   CA   _C7_    48     1.40393   122.38938    23.70529
   70    65 S   OH   _O21    72     1.36954   115.66206   179.71954
   71    70 S   HO   _H38    73     0.97375   108.78234   178.82797
   72    69 S   CO4  _C10    49     1.49033   119.59140    -1.58041
   73    72 S   O    _O18    50     1.22990   119.76874  -175.44271
  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  13   5   4   3
  20   2   1   1  16   6   5  18   8  11  14   8   4  16   7   3
   2   1   3   1   6   3  10   7   6   3   7   2   1   5   4   3
   5   2   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    59    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    72    40    41    43    55    59    60    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    44    69    72    73    40    41    43    46    55    56    59    60    61    62    47    51  
   35    36  
   36  
    0  
   38    39    42    44    45    53    65    69    72    40    41    43    55    59    60    61  
   39    42    44    69    40    59  
   42    44    69    40    59  
   41    43    46    55    59    60    61    47    48    49    50    51    52    42    65    69    72    73  
   43    46    59    47    51    69    72    73  
   44    45    53    54    57    65    69    72    73    59    70  
   46    55    56    59    62    47    48    49    50    51    52    69    72    73  
   45    53    54    57    58    65    69    72  
   53    54    57    69  
   55    56    59    60    61    62    63    64    66    47    48    49    50    51    52    72  
   48    49    50    51    52    55    72  
   49    50    51  
   50    51  
   51  
   52    55    72  
    0  
   54    57    58    65    69    70  
   57    58    65  
   56    59    60    61    62    63    64    66    67    68  
   59    60    61    62    63    64    66  
   58    65    69    72    70    71  
   65    69    70  
   60    61    62    63    64    66    72  
   61    62  
   62  
   63    64    66    67    68  
   64    66    67    68  
   66    67    68  
   69    72    73    70    71  
   67    68  
   68  
    0  
   72    73    70    71  
   71    72  
    0  
   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   0.167500   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    59   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.510
   42    44   469.000  1.400
   42    69   469.000  1.400
   44    45   367.000  1.080
   44    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    69   469.000  1.400
   65    70   450.000  1.364
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    40   317.000  1.522
   40    41   340.000  1.090
   40    43   250.000  1.527
   43    46   320.000  1.380
   43    47   250.000  1.527
   43    51   380.000  1.407
   46    55   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   553.000  0.945
   70    71   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    59    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.17500
   33    40    72    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    75.00000  109.43000
   33    59    55    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   37    42    44    70.00000  120.00000
   37    42    69    70.00000  120.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    44    45    35.00000  120.00000
   42    44    53    63.00000  120.00000
   42    69    65    63.00000  120.00000
   42    69    72    60.00000  119.52600
   44    53    54    35.00000  120.00000
   44    53    57    63.00000  120.00000
   53    44    45    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    65    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    65    69    63.00000  120.00000
   57    65    70    70.00000  120.00000
   65    57    58    35.00000  120.00000
   65    69    72    60.00000  119.52600
   65    70    71    35.00000  113.00000
   69    42    44    63.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    40    65.00000  115.47100
   72    40    41    35.00000  109.50000
   72    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    72    73    80.00000  120.40000
   40    43    46    90.00000  108.56700
   40    43    47    65.00000  112.71400
   40    43    51    90.00000  110.19100
   43    40    41    45.00000  108.72000
   43    46    55    60.00000  109.50000
   43    47    48    45.00000  108.72000
   43    47    49    45.00000  108.72000
   43    47    50    45.00000  108.72000
   43    51    52    70.00000  107.92000
   46    55    56    35.00000  109.50000
   46    55    59    50.00000  109.50000
   46    55    62    50.00000  109.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    66    70.00000  109.69300
   59    33    37    58.35000  112.70000
   59    33    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    70.00000  117.00000
   62    66    68    70.00000  117.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   68    66    67    80.00000  126.00000
   47    43    46    90.00000  108.56700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    46   110.00000  112.08000
   51    43    47    90.00000  110.19100
   70    65    69    70.00000  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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    37    42    44   0.04150 -1.0 2.0
   33    37    42    69   0.04150 -1.0 2.0
   33    40    43    46   0.62750  1.0 1.0
   33    40    43    46  -0.30950 -1.0 2.0
   33    40    43    46   0.27300  1.0 3.0
   33    40    43    47   0.56750  1.0 1.0
   33    40    43    47  -0.07550 -1.0 2.0
   33    40    43    47   0.20000  1.0 3.0
   33    40    43    51   0.86500  1.0 1.0
   33    40    43    51  -0.17500 -1.0 2.0
   33    40    43    51   0.20800  1.0 3.0
   37    33    40    72  -0.95700  1.0 1.0
   37    33    40    72  -0.18200 -1.0 2.0
   37    33    40    72   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   3.97050  1.0 1.0
   37    33    59    55   0.56750  1.0 1.0
   37    33    59    55  -0.07550 -1.0 2.0
   37    33    59    55   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    42    44    45   3.62500 -1.0 2.0
   37    42    44    53   3.62500 -1.0 2.0
   37    42    69    65   3.62500 -1.0 2.0
   37    42   -69    72   3.62500 -1.0 2.0
   38    37    42    44   0.00000  1.0 1.0
   38    37    42    69   0.00000  1.0 1.0
   39    37    42    44   0.00000  1.0 1.0
   39    37    42    69   0.00000  1.0 1.0
   42    44    53    54   3.62500 -1.0 2.0
   42    44    53    57   3.62500 -1.0 2.0
   42    69    72    73   1.05000 -1.0 2.0
   42    69    72    40   2.26350  1.0 1.0
   42    69    72    40   0.76750 -1.0 2.0
   42    69    72    40   0.22500  1.0 3.0
   44    42    69    65   3.62500 -1.0 2.0
   44    42    69    72   3.62500 -1.0 2.0
   44    53    57    58   3.62500 -1.0 2.0
   44    53   -57    65   3.62500 -1.0 2.0
   45    44    53    54   3.62500 -1.0 2.0
   45    44    53    57   3.62500 -1.0 2.0
   53    57    65    69   3.62500 -1.0 2.0
   53    57    65    70   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    65   3.62500 -1.0 2.0
   57    65   -69    42   3.62500 -1.0 2.0
   57    65    69    72   3.62500 -1.0 2.0
   57    65    70    71   0.84100 -1.0 2.0
   58    57    65    69   3.62500 -1.0 2.0
   58    57    65    70   3.62500 -1.0 2.0
   65    69    72    73   1.05000 -1.0 2.0
   65    69    72    40   2.26350  1.0 1.0
   65    69    72    40   0.76750 -1.0 2.0
   65    69    72    40   0.22500  1.0 3.0
   69    42    44    45   3.62500 -1.0 2.0
   69    42   -44    53   3.62500 -1.0 2.0
   69    65    70    71   0.84100 -1.0 2.0
   69    72   -40    33   0.05850 -1.0 2.0
   69    72   -40    33   0.17250  1.0 3.0
   69    72    40    41   0.00000  1.0 1.0
   69    72    40    43   0.05850 -1.0 2.0
   69    72    40    43   0.17250  1.0 3.0
   72    40    43    46  -0.09450  1.0 1.0
   72    40    43    46  -1.12950 -1.0 2.0
   72    40    43    46   0.54000  1.0 3.0
   72    40    43    47  -0.95700  1.0 1.0
   72    40    43    47  -0.18200 -1.0 2.0
   72    40    43    47   0.29450  1.0 3.0
   72    40    43    51  -0.09450  1.0 1.0
   72    40    43    51  -1.12950 -1.0 2.0
   72    40    43    51   0.54000  1.0 3.0
   73    72    40    33   0.30150 -1.0 2.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    43   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    42  -0.03700  1.0 1.0
   40    33   -37    42   0.37200 -1.0 2.0
   40    33   -37    42  -0.47300  1.0 3.0
   40    33    59    55   0.56750  1.0 1.0
   40    33    59    55  -0.07550 -1.0 2.0
   40    33    59    55   0.20000  1.0 3.0
   40    33    59    60   0.15000  1.0 3.0
   40    33    59    61   0.15000  1.0 3.0
   40    43   -46    55   0.06250  1.0 1.0
   40    43   -46    55  -0.01100 -1.0 2.0
   40    43   -46    55   0.28050  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    49   0.15000  1.0 3.0
   40    43    47    50   0.15000  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   41    40    43    47   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   43    46    55    56   0.37050  1.0 3.0
   43    46    55    59   0.06250  1.0 1.0
   43    46    55    59  -0.01100 -1.0 2.0
   43    46    55    59   0.28050  1.0 3.0
   43    46    55    62   0.06250  1.0 1.0
   43    46    55    62  -0.01100 -1.0 2.0
   43    46    55    62   0.28050  1.0 3.0
   46    43    47    48   0.23400  1.0 3.0
   46    43    47    49   0.23400  1.0 3.0
   46    43    47    50   0.23400  1.0 3.0
   46    43    51    52  -0.50000  1.0 1.0
   46    43    51    52  -0.73950 -1.0 2.0
   46    43    51    52   0.17150  1.0 3.0
   46    55   -59    33   0.62750  1.0 1.0
   46    55   -59    33  -0.30950 -1.0 2.0
   46    55   -59    33   0.27300  1.0 3.0
   46    55    59    60   0.23400  1.0 3.0
   46    55    59    61   0.23400  1.0 3.0
   46    55    62    63   0.23400  1.0 3.0
   46    55    62    64   0.23400  1.0 3.0
   46    55    62    66  -3.35100  1.0 1.0
   46    55    62    66  -0.37050 -1.0 2.0
   46    55    62    66   0.22400  1.0 3.0
   55    62    66    67   0.41150 -1.0 2.0
   55    62    66    68   0.41150 -1.0 2.0
   56    55    59    33   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    66  -0.11250  1.0 3.0
   59    33    37    38   0.15000  1.0 3.0
   59    33    37    39   0.15000  1.0 3.0
   59    33    37    42  -0.03700  1.0 1.0
   59    33    37    42   0.37200 -1.0 2.0
   59    33    37    42  -0.47300  1.0 3.0
   59    33    40    72  -0.95700  1.0 1.0
   59    33    40    72  -0.18200 -1.0 2.0
   59    33    40    72   0.29450  1.0 3.0
   59    33    40    41   0.15000  1.0 3.0
   59    33   -40    43   3.97050  1.0 1.0
   59    55    62    63   0.15000  1.0 3.0
   59    55    62    64   0.15000  1.0 3.0
   59    55    62    66  -1.63150  1.0 1.0
   59    55    62    66  -0.43550 -1.0 2.0
   59    55    62    66   0.24500  1.0 3.0
   62    55    59    33   0.56750  1.0 1.0
   62    55    59    33  -0.07550 -1.0 2.0
   62    55    59    33   0.20000  1.0 3.0
   62    55    59    60   0.15000  1.0 3.0
   62    55    59    61   0.15000  1.0 3.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   64    62    66    67   0.00000  1.0 1.0
   64    62    66    68   0.00000  1.0 1.0
   47    43    46    55   0.06250  1.0 1.0
   47    43    46    55  -0.01100 -1.0 2.0
   47    43    46    55   0.28050  1.0 3.0
   47    43    51    52  -0.11600  1.0 1.0
   47    43    51    52  -0.09450 -1.0 2.0
   47    43    51    52   0.21250  1.0 3.0
   51    43    46    55  -0.81800  1.0 1.0
   51    43    47    48   0.23400  1.0 3.0
   51    43    47    49   0.23400  1.0 3.0
   51    43    47    50   0.23400  1.0 3.0
   70    65    69    42   3.62500 -1.0 2.0
   70    65    69    72   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    69    42    37   4.00000 -1.0 2.0
   53    45    44    42   1.10000 -1.0 2.0
   57    54    53    44   1.10000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   69    70    65    57   4.00000 -1.0 2.0
   65    72    69    42   4.00000 -1.0 2.0
   69    40    72    73  10.50000 -1.0 2.0
   67    62    66    68  10.50000 -1.0 2.0
END
