* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    133    193     385
    1     0 S   NP   _N1_     1    28.27972    93.59722   -22.51866
    2     1 S   H    _HN1     2     1.02843    27.71910    90.67315
    3     1 S   H    _H1_     3     1.02789    85.52681  -125.39572
    4     1 S   H    _H2_     4     1.02952    99.83633   -17.67095
    5     1 S   CT   _CA1     5     1.50100   136.51072   116.83274
    6     5 S   HC   _HA1     6     1.09570   105.32062    47.09749
    7     5 S   CO3  _C1_     7     1.53938   112.04073   -73.22381
    8     7 S   O2Z  _O11     8     1.26434   115.14183   -52.49228
    9     7 S   O2Z  _O12     9     1.26213   114.92555   126.66648
   10     5 S   CT   _CB1    10     1.53074   107.38493   164.96914
   11    10 S   HC   HB11    11     1.09824   109.76101   -49.68351
   12    10 S   HC   HB12    12     1.09796   110.21060    66.80802
   13    10 S   CT   _CG1    13     1.53039   112.58631  -170.68487
   14    13 S   HC   HG11    14     1.09604   110.41013   -54.23901
   15    13 S   HC   HG12    15     1.09597   110.22303    65.03151
   16    13 S   C    _CD1    16     1.51726   111.88634  -174.32542
   17    16 S   O    _OE1    17     1.22747   123.17704   -10.47460
   18    16 S   N    _N2_    18     1.38455   111.82031   169.07130
   19    18 S   H    _HN2    19     1.01527   119.45093     7.10252
   20    18 S   CT1  _CA2    20     1.45829   122.69219  -171.94958
   21    20 S   HC   _HA2    21     1.09682   108.07369    25.92660
   22    20 S   C    _C2_    22     1.52713   107.76032   -91.40998
   23    22 S   O    _O2_    23     1.22978   123.00521   -28.25982
   24    20 S   CT   _CB2    32     1.53572   112.60355   147.45318
   25    24 S   HC   HB21    33     1.09566   110.19624    66.54646
   26    24 S   HC   HB22    34     1.09422   109.22617  -174.97313
   27    22 S   N    _N3_    24     1.38479   112.57817   154.20402
   28    27 S   H    _HN3    25     1.01645   120.28209    -0.61485
   29    24 S   S    _SG2    35     1.83160   110.20910   -52.70128
   30    27 S   CT   _CA3    26     1.45326   122.50232   179.24879
   31    30 S   HC   HA31    27     1.09562   107.48391   -63.40012
   32    30 S   HC   HA32    28     1.09568   107.92440    52.91619
   33    29 S   CT   _C16    36     1.86135   103.74834  -155.31124
   34    33 S   OM   _O34    37     1.31965   109.19551    62.67129
   35    30 S   CO3  _C3_    29     1.52891   114.40063   174.90869
   36    35 S   O2Z  _O31    30     1.26324   116.12643    -1.33237
   37    35 S   O2Z  _O32    31     1.26460   114.38337   178.71519
   38    33 S   CT   _C15    38     1.59192   110.19111  -177.29036
   39    38 S   HC   _H4_    39     1.09867   108.30156    53.72237
   40    33 S   S    _S1_    72     1.88006   109.02463   -54.83803
   41    38 S   CT   _C14    40     1.57027   118.36321   -68.30124
   42    41 S   HC   _H3_    41     1.09737   109.39553   -63.28137
   43    38 S   NTH2 _N4_    69     1.48889   111.07069   168.86803
   44    43 S   H    _H18    70     1.01820   109.01503   -53.76552
   45    43 S   H    _H19    71     1.01906   108.80678  -170.70166
   46    40 S   CT   _C17    73     1.81325   101.98019   -64.36579
   47    46 S   HC   _H15    74     1.09388   108.29760   176.91041
   48    46 S   HC   _H16    75     1.09183   111.67465    58.47383
   49    46 S   HC   _H17    76     1.09187   111.31729   -64.97707
   50    41 S   CA   _C10    42     1.51373   116.73029    61.88137
   51    41 S   OH   _O35    67     1.44232   108.34576  -177.63735
   52    51 S   HO   _H20    68     0.97254   107.63478  -173.27317
   53    50 S   CA   _C11    43     1.40276   121.32950    63.79753
   54    53 S   HA   _H12    44     1.08723   120.29936     0.97036
   55    53 S   CA   _C12    45     1.39520   120.58945  -177.65048
   56    55 S   HA   _H13    46     1.08650   119.29778   178.76997
   57    55 S   CA   _C13    47     1.39524   119.85571    -0.74336
   58    57 S   CA   _C8_    48     1.40032   120.96576    -0.93879
   59    57 S   OH   _O33    65     1.36900   119.75910   178.99051
   60    59 S   HO   _H14    66     0.97653   108.95742    -5.77774
   61    50 S   CA   _C9_    49     1.40415   119.94076  -115.64674
   62    61 S   HA   _H11    50     1.08847   119.31500    -0.47642
   63    58 S   CT   _C7_    51     1.51014   122.25130   179.52399
   64    63 S   HC   _H9_    52     1.09735   110.03052    29.20795
   65    63 S   HC   _H10    53     1.09519   109.17837   142.76504
   66    63 S   CM   _C6_    54     1.50345   112.57647   -91.87578
   67    66 S   HC   _H8_    55     1.08964   114.05285    74.64619
   68    66 S   CM   _C5_    56     1.34719   127.92318  -106.90751
   69    68 S   CT   _C4_    57     1.50590   120.56086  -178.31879
   70    69 S   HC   _H5_    58     1.09494   110.19426   119.83044
   71    69 S   HC   _H6_    59     1.09444   110.22682  -120.50105
   72    69 S   HC   _H7_    60     1.09459   112.50402    -0.26170
   73    68 S   CT   _C18    61     1.50261   125.30730     2.22458
   74    73 S   HC   _H21    62     1.09540   109.99017   122.86588
   75    73 S   HC   _H22    63     1.09497   110.06706  -117.86915
   76    73 S   HC   _H23    64     1.09162   113.69489     2.91202
  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   8   5   4   3
  15   6   2   1   1  13   8   6  13   6   4   1   1   3   2   1
   1  11   3   1   8   4   7   3   9  10   3   1   5   1   7   4
   3  10   3   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    51    43    44    45    40    46    47    48    49  
   38    39    41    43    40    46  
   36    37  
   37  
    0  
   39    41    42    50    53    61    51    52    43    44    45    40    46  
   41    42    50    51    43    44    45    40  
   46    47    48    49    41    43  
   42    50    53    54    55    58    61    62    51    52    43    44    45  
   50    53    61    51    52    43  
   44    45    50    51  
   45  
    0  
   47    48    49  
   48    49  
   49  
    0  
   53    54    55    56    57    58    61    62    63    51    52  
   52    53    61  
    0  
   54    55    56    57    58    61    62    59  
   55    56    57    61  
   56    57    58    61    63    59    60  
   57    58    59  
   58    61    62    63    64    65    66    59    60  
   61    62    63    64    65    66    67    68    59    60  
   60    61    63  
    0  
   62    63    64    65    66  
   63  
   64    65    66    67    68    69    73  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    74    75    76  
   68    69    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.012500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.1200   0.1700  -0.683000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   222.000  1.810
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   300.000  1.468
   41    42   340.000  1.090
   41    50   317.000  1.510
   41    51   320.000  1.410
   50    53   469.000  1.400
   50    61   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    59   450.000  1.364
   58    61   469.000  1.400
   58    63   317.000  1.510
   61    62   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   317.000  1.510
   68    73   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   59    60   553.000  0.945
   51    52   553.000  0.945
   43    44   495.000  1.019
   43    45   495.000  1.019
   40    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    80.00000  112.76400
   33    40    46    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    50    70.00000  112.17500
   38    41    51    50.00000  109.50000
   38    43    44    50.00000  110.30900
   38    43    45    50.00000  110.30900
   41    38    39    37.50000  110.70000
   41    50    53    70.00000  120.00000
   41    50    61    70.00000  120.00000
   41    51    52    55.00000  108.50000
   50    41    42    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    55    63.00000  120.00000
   50    61    58    63.00000  120.00000
   50    61    62    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    59    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    61    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    60    35.00000  113.00000
   58    61    62    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    70.00000  112.99600
   61    50    53    63.00000  120.00000
   63    58    61    70.00000  120.00000
   63    66    67    35.00000  117.00000
   63    66    68    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    68    69    70.00000  124.00000
   66    68    73    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  109.50000
   68    69    71    35.00000  109.50000
   68    69    72    35.00000  109.50000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   59    57    58    70.00000  120.00000
   51    41    42    35.00000  109.50000
   51    41    50    90.00000  112.51600
   43    38    39    50.00000  110.79000
   43    38    41    80.00000  112.76400
   45    43    44    40.00000  106.77200
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  111.63000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    46   0.08500  1.0 1.0
   29    33    40    46  -0.53150 -1.0 2.0
   29    33    40    46   0.48050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    50  -0.03700  1.0 1.0
   33    38    41    50   0.37200 -1.0 2.0
   33    38    41    50  -0.47300  1.0 3.0
   33    38    41    51   0.86500  1.0 1.0
   33    38    41    51  -0.17500 -1.0 2.0
   33    38    41    51   0.20800  1.0 3.0
   33    38    43    44   0.21650  1.0 1.0
   33    38    43    44   0.26250 -1.0 2.0
   33    38    43    44   0.12450  1.0 3.0
   33    38    43    45   0.21650  1.0 1.0
   33    38    43    45   0.26250 -1.0 2.0
   33    38    43    45   0.12450  1.0 3.0
   33    40    46    47   0.32350  1.0 3.0
   33    40    46    48   0.32350  1.0 3.0
   33    40    46    49   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    43   3.18800  1.0 1.0
   34    33    38    43  -1.12350 -1.0 2.0
   34    33    40    46   0.13850  1.0 1.0
   34    33    40    46  -1.34450 -1.0 2.0
   34    33    40    46   0.57400  1.0 3.0
   38    33    40    46   0.01700  1.0 1.0
   38    33    40    46  -0.23550 -1.0 2.0
   38    33    40    46   0.21350  1.0 3.0
   38    41    50    53   0.04150 -1.0 2.0
   38    41    50    61   0.04150 -1.0 2.0
   38    41    51    52  -0.11600  1.0 1.0
   38    41    51    52  -0.09450 -1.0 2.0
   38    41    51    52   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    50   0.43200  1.0 3.0
   39    38    41    51   0.23400  1.0 3.0
   39    38    43    44   0.20000  1.0 3.0
   39    38    43    45   0.20000  1.0 3.0
   41    38    43    44   0.21650  1.0 1.0
   41    38    43    44   0.26250 -1.0 2.0
   41    38    43    44   0.12450  1.0 3.0
   41    38    43    45   0.21650  1.0 1.0
   41    38    43    45   0.26250 -1.0 2.0
   41    38    43    45   0.12450  1.0 3.0
   41    50    53    54   3.62500 -1.0 2.0
   41    50    53    55   3.62500 -1.0 2.0
   41    50    61    58   3.62500 -1.0 2.0
   41    50    61    62   3.62500 -1.0 2.0
   42    41    50    53   0.00000  1.0 1.0
   42    41    50    61   0.00000  1.0 1.0
   42    41    51    52   0.19450  1.0 3.0
   50    41    51    52   0.31900  1.0 1.0
   50    41    51    52  -0.11800 -1.0 2.0
   50    41    51    52   0.38750  1.0 3.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    57   3.62500 -1.0 2.0
   53    50    61    58   3.62500 -1.0 2.0
   53    50    61    62   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    61   3.62500 -1.0 2.0
   55    57    58    63   3.62500 -1.0 2.0
   55    57    59    60   0.84100 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    58   -61    50   3.62500 -1.0 2.0
   57    58    61    62   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    66   0.18050 -1.0 2.0
   58    57    59    60   0.84100 -1.0 2.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    68   1.44450  1.0 1.0
   58    63    66    68   0.06600 -1.0 2.0
   58    63    66    68   0.29250  1.0 3.0
   61    50    53    54   3.62500 -1.0 2.0
   61    50   -53    55   3.62500 -1.0 2.0
   61    58    63    64   0.00000  1.0 1.0
   61    58    63    65   0.00000  1.0 1.0
   61    58    63    66   0.18050 -1.0 2.0
   63    58    61    50   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    66    68    69   7.00000 -1.0 2.0
   63    66    68    73   7.00000 -1.0 2.0
   64    63    66    67   0.33100  1.0 3.0
   64    63    66    68   0.00000  1.0 1.0
   65    63    66    67   0.33100  1.0 3.0
   65    63    66    68   0.00000  1.0 1.0
   66    68    69    70   0.00000  1.0 1.0
   66    68    69    71   0.00000  1.0 1.0
   66    68    69    72   0.00000  1.0 1.0
   66    68    73    74   0.00000  1.0 1.0
   66    68    73    75   0.00000  1.0 1.0
   66    68    73    76   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    73   7.00000 -1.0 2.0
   69    68    73    74   0.34800  1.0 3.0
   69    68    73    75   0.34800  1.0 3.0
   69    68    73    76   0.34800  1.0 3.0
   73    68    69    70   0.34800  1.0 3.0
   73    68    69    71   0.34800  1.0 3.0
   73    68    69    72   0.34800  1.0 3.0
   59    57    58    61   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   51    41    50    53   0.14300 -1.0 2.0
   51    41    50    53   0.00300  1.0 3.0
   51    41    50    61   0.14300 -1.0 2.0
   51    41    50    61   0.00300  1.0 3.0
   43    38    41    42   0.15000  1.0 3.0
   43    38    41    50   0.83750  1.0 1.0
   43    38    41    50   0.32200 -1.0 2.0
   43    38    41    50   0.70600  1.0 3.0
   43    38    41    51   5.28650  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.44750  1.0 1.0
   40    33    38    41  -0.17800 -1.0 2.0
   40    33    38    41   0.20200  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   53    61    50    41   4.00000 -1.0 2.0
   55    54    53    50   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    59    57    55   4.00000 -1.0 2.0
   61    63    58    57   4.00000 -1.0 2.0
   58    62    61    50   1.10000 -1.0 2.0
   63    67    66    68  15.00000 -1.0 2.0
   69    73    68    66  15.00000 -1.0 2.0
END
