* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    137    209     407
    1     0 S   NP   _N1_     1    28.77900    96.09420   -22.66610
    2     1 S   H    _HN1     2     1.02829    38.23857   162.73094
    3     1 S   H    _H1_     3     1.02785    99.74985   -90.67877
    4     1 S   H    _H2_     4     1.02949    74.75014    15.85043
    5     1 S   CT   _CA1     5     1.50106   142.91935   119.65803
    6     5 S   HC   _HA1     6     1.09572   105.20564    86.10165
    7     5 S   CO3  _C1_     7     1.53801   112.47322   -34.15860
    8     7 S   O2Z  _O11     8     1.26372   115.00720   -42.27602
    9     7 S   O2Z  _O12     9     1.26242   114.95337   136.89976
   10     5 S   CT   _CB1    10     1.53085   107.42868  -155.88688
   11    10 S   HC   HB11    11     1.09830   109.41320   -49.57301
   12    10 S   HC   HB12    12     1.09814   110.43023    67.05324
   13    10 S   CT   _CG1    13     1.52976   112.58101  -170.55003
   14    13 S   HC   HG11    14     1.09588   110.60404   -64.90329
   15    13 S   HC   HG12    15     1.09668   109.81514    54.32493
   16    13 S   C    _CD1    16     1.51788   112.28493   174.81088
   17    16 S   O    _OE1    17     1.22724   123.31072     5.45650
   18    16 S   N    _N2_    18     1.38634   111.59597  -174.64866
   19    18 S   H    _HN2    19     1.01574   118.95219     2.03548
   20    18 S   CT1  _CA2    20     1.46253   123.48509   178.73917
   21    20 S   HC   _HA2    21     1.09739   109.36506     2.84221
   22    20 S   C    _C2_    22     1.53560   108.68703  -112.70119
   23    22 S   O    _O2_    23     1.23061   122.30013  -148.56227
   24    20 S   CT   _CB2    32     1.53576   111.43668   124.80630
   25    24 S   HC   HB21    33     1.09459   109.04271    55.96970
   26    24 S   HC   HB22    34     1.09279   109.76173   174.91862
   27    22 S   N    _N3_    24     1.38333   113.72661    38.92270
   28    27 S   H    _HN3    25     1.01582   119.56928    -3.37446
   29    24 S   S    _SG2    35     1.82904   110.77648   -64.25578
   30    27 S   CT   _CA3    26     1.45286   123.21315   177.11452
   31    30 S   HC   HA31    27     1.09549   107.50855   -64.60081
   32    30 S   HC   HA32    28     1.09557   107.98584    51.83630
   33    29 S   CT   _C11    36     1.88956   103.71828  -174.06700
   34    30 S   CO3  _C3_    29     1.52957   114.08545   173.83258
   35    34 S   O2Z  _O31    30     1.26374   116.06977    -0.72091
   36    34 S   O2Z  _O32    31     1.26428   114.41244   179.34181
   37    33 S   CT   _C12    37     1.55304   111.23488   -42.47145
   38    37 S   HC   _H11    38     1.10014   109.59913   168.86102
   39    37 S   HC   _H12    39     1.09601   112.00536    55.69242
   40    33 S   CT   _C18    72     1.55676   103.75842    74.05282
   41    40 S   HC   _H22    73     1.09599   112.06617    60.67509
   42    40 S   HC   _H23    74     1.09492   112.22466   -60.74858
   43    40 S   HC   _H24    75     1.09603   111.75148  -178.81584
   44    37 S   CT   _C13    40     1.52640   113.95324   -69.89337
   45    44 S   HC   _H3_    41     1.09393   110.53437    65.88347
   46    44 S   CT   _C14    42     1.52865   111.74302   -58.01189
   47    46 S   HC   _H13    43     1.09883   108.95086  -179.87028
   48    46 S   HC   _H14    44     1.09908   108.79182   -66.83700
   49    44 S   OH   _O34    70     1.42868   107.99052  -177.89550
   50    49 S   HO   _H21    71     0.97229   107.40218   179.11663
   51    46 S   CT   _C15    45     1.55718   113.80375    56.64447
   52    33 S   CT   _C10    46     1.62627   110.97871  -165.10659
   53    52 S   OM   _O35    47     1.33209   106.37477  -168.64617
   54    51 S   CT   _C16    62     1.56316   107.52036  -174.33230
   55    54 S   HC   _H15    63     1.09543   111.41017  -179.28509
   56    54 S   HC   _H16    64     1.09523   112.41785    59.10418
   57    54 S   HC   _H17    65     1.09689   110.94861   -59.77925
   58    51 S   CT   _C17    66     1.55422   107.50008    74.11980
   59    58 S   HC   _H18    67     1.09403   112.20375   178.48742
   60    58 S   HC   _H19    68     1.09783   110.50190    60.13857
   61    58 S   HC   _H20    69     1.08908   113.51472   -58.00658
   62    52 S   CM   _C9_    48     1.54613   111.75133   -50.95925
   63    62 S   HC   _H10    49     1.08689   113.33174    67.20785
   64    62 S   CM   _C8_    50     1.34964   129.81742  -112.59276
   65    64 S   HC   _H9_    51     1.08421   117.42378     0.04423
   66    64 S   CM   _C5_    52     1.46316   126.39950   179.83449
   67    66 S   CM   _C6_    53     1.34769   124.35058   179.68721
   68    67 S   HC   _H7_    54     1.08781   119.72877   179.91844
   69    66 S   CT   _C4_    58     1.51163   117.61725    -0.38765
   70    69 S   HC   _H4_    59     1.09560   110.76624    60.74280
   71    69 S   HC   _H5_    60     1.09562   110.76674   -60.41469
   72    69 S   HC   _H6_    61     1.09598   112.32091  -179.83214
   73    67 S   CO4  _C7_    55     1.48103   126.98612    -0.13270
   74    73 S   O    _O33    56     1.22655   121.39508   179.85598
   75    73 S   HC   _H8_    57     1.09836   117.48215    -0.17471
  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
  19   2   1   1  17   7   6   8   3   2   1  10   6  16   6   5
   2   1  13  14   5   8   3   2   1   4   2   1   1   6   3   9
   3   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    51    52    53    62    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    51    52    53    62    63    64    54    58    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    53    62    49    50    40    41    42    43  
   39    44    45    46    52    49    40  
   44    45    46    52    49    40  
   41    42    43    44    51    52    53    62  
   42    43    52  
   43    52  
   52  
   45    46    47    48    51    52    54    58    49    50  
   46    47    48    51    49    50  
   47    48    51    52    53    62    54    55    56    57    58    59    60    61    49    50  
   48    51    52    54    58    49  
   51    52    54    58    49  
   50    51  
    0  
   52    53    62    63    64    54    55    56    57    58    59    60    61  
   53    62    63    64    65    66    54    55    56    57    58    59    60    61  
   62    63    64    54    58  
   55    56    57    58    59    60    61    62  
   56    57    58  
   57    58  
   58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    69  
   64    65    66  
   65    66    67    68    73    69    70    71    72  
   66    67    69  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    69    70    71    72  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75  
   75  
    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  -0.120000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
   73   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   75   2.4200   0.0150   0.000000   1.3810   1.2100   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   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   570.000  1.307
   52    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   549.000  1.340
   66    69   317.000  1.510
   67    68   340.000  1.080
   67    73   320.000  1.462
   73    74   570.000  1.229
   73    75   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
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    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    52    51    58.35000  112.70000
   33    52    53    50.00000  109.50000
   33    52    62    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    50    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    54    58.35000  112.70000
   46    51    58    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    53    50.00000  109.50000
   51    52    62    70.00000  112.02700
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    33    37    58.35000  112.70000
   52    62    63    35.00000  117.00000
   52    62    64    70.00000  124.00000
   62    52    53    85.00000  110.90400
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  123.01800
   64    62    63    35.00000  120.00000
   64    66    67    70.00000  123.01800
   64    66    69    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    65.00000  118.96000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    74    80.00000  123.72100
   67    73    75    40.00000  115.75000
   73    67    68    40.00000  117.72500
   75    73    74    35.00000  123.00000
   69    66    67    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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
   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    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    52    51   0.44750  1.0 1.0
   29    33    52    51  -0.17800 -1.0 2.0
   29    33    52    51   0.20200  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    62   0.56750  1.0 1.0
   29    33    52    62  -0.07550 -1.0 2.0
   29    33    52    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.56750  1.0 1.0
   33    37    44    46  -0.07550 -1.0 2.0
   33    37    44    46   0.20000  1.0 3.0
   33    37    44    49   0.86500  1.0 1.0
   33    37    44    49  -0.17500 -1.0 2.0
   33    37    44    49   0.20800  1.0 3.0
   33    52    62    63   0.00000  1.0 1.0
   33    52    62    64   0.09850  1.0 1.0
   33    52    62    64   0.15250 -1.0 2.0
   33    52    62    64  -0.50650  1.0 3.0
   37    33    52    51   0.56750  1.0 1.0
   37    33    52    51  -0.07550 -1.0 2.0
   37    33    52    51   0.20000  1.0 3.0
   37    33    52    53   0.62750  1.0 1.0
   37    33    52    53  -0.30950 -1.0 2.0
   37    33    52    53   0.27300  1.0 3.0
   37    33    52    62   0.34400  1.0 1.0
   37    33    52    62   0.09450 -1.0 2.0
   37    33    52    62   0.11100  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    48   0.15000  1.0 3.0
   37    44   -46    51   0.56750  1.0 1.0
   37    44   -46    51  -0.07550 -1.0 2.0
   37    44   -46    51   0.20000  1.0 3.0
   37    44    49    50  -0.11600  1.0 1.0
   37    44    49    50  -0.09450 -1.0 2.0
   37    44    49    50   0.21250  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    49   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    49   0.23400  1.0 3.0
   44    46    51    52   0.56750  1.0 1.0
   44    46    51    52  -0.07550 -1.0 2.0
   44    46    51    52   0.20000  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   44    46    51    58   0.56750  1.0 1.0
   44    46    51    58  -0.07550 -1.0 2.0
   44    46    51    58   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50  -0.11600  1.0 1.0
   46    44    49    50  -0.09450 -1.0 2.0
   46    44    49    50   0.21250  1.0 3.0
   46    51   -52    33   0.56750  1.0 1.0
   46    51   -52    33  -0.07550 -1.0 2.0
   46    51   -52    33   0.20000  1.0 3.0
   46    51    52    53   0.62750  1.0 1.0
   46    51    52    53  -0.30950 -1.0 2.0
   46    51    52    53   0.27300  1.0 3.0
   46    51    52    62   0.34400  1.0 1.0
   46    51    52    62   0.09450 -1.0 2.0
   46    51    52    62   0.11100  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   46    51    58    59   0.15000  1.0 3.0
   46    51    58    60   0.15000  1.0 3.0
   46    51    58    61   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    46    51    58   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   48    46    51    58   0.15000  1.0 3.0
   51    52    62    63   0.00000  1.0 1.0
   51    52    62    64   0.09850  1.0 1.0
   51    52    62    64   0.15250 -1.0 2.0
   51    52    62    64  -0.50650  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.56750  1.0 1.0
   52    33   -37    44  -0.07550 -1.0 2.0
   52    33   -37    44   0.20000  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62    64    65   7.00000 -1.0 2.0
   52    62    64    66   7.00000 -1.0 2.0
   53    52    62    63   0.00000  1.0 1.0
   53    52    62    64   0.39000  1.0 1.0
   53    52    62    64  -0.05800 -1.0 2.0
   53    52    62    64  -0.55150  1.0 3.0
   62    64    66    67   0.28850  1.0 1.0
   62    64    66    67   2.61350 -1.0 2.0
   62    64    66    67   0.78400  1.0 3.0
   62    64    66    69  -0.18600  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    67    68   7.00000 -1.0 2.0
   64    66    67    73   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.00000  1.0 1.0
   65    64    66    67  -0.18600  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    67    73    74   1.00000 -1.0 2.0
   66    67    73    75  -0.79650  1.0 1.0
   66    67    73    75   1.60950 -1.0 2.0
   66    67    73    75  -0.26250  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.93100 -1.0 2.0
   69    66    67    68   7.00000 -1.0 2.0
   69    66    67    73   7.00000 -1.0 2.0
   54    51    52    33   0.56750  1.0 1.0
   54    51    52    33  -0.07550 -1.0 2.0
   54    51    52    33   0.20000  1.0 3.0
   54    51    52    53   0.62750  1.0 1.0
   54    51    52    53  -0.30950 -1.0 2.0
   54    51    52    53   0.27300  1.0 3.0
   54    51    52    62   0.34400  1.0 1.0
   54    51    52    62   0.09450 -1.0 2.0
   54    51    52    62   0.11100  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    33   0.56750  1.0 1.0
   58    51    52    33  -0.07550 -1.0 2.0
   58    51    52    33   0.20000  1.0 3.0
   58    51    52    53   0.62750  1.0 1.0
   58    51    52    53  -0.30950 -1.0 2.0
   58    51    52    53   0.27300  1.0 3.0
   58    51    52    62   0.34400  1.0 1.0
   58    51    52    62   0.09450 -1.0 2.0
   58    51    52    62   0.11100  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    51   0.86500  1.0 1.0
   49    44    46    51  -0.17500 -1.0 2.0
   49    44    46    51   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    52    51   0.56750  1.0 1.0
   40    33    52    51  -0.07550 -1.0 2.0
   40    33    52    51   0.20000  1.0 3.0
   40    33    52    53   0.62750  1.0 1.0
   40    33    52    53  -0.30950 -1.0 2.0
   40    33    52    53   0.27300  1.0 3.0
   40    33    52    62   0.34400  1.0 1.0
   40    33    52    62   0.09450 -1.0 2.0
   40    33    52    62   0.11100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   52    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   64    69    66    67  15.00000 -1.0 2.0
   73    68    67    66  15.00000 -1.0 2.0
   67    75    73    74  10.50000 -1.0 2.0
END
