* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    135    193     383
    1     0 S   NP   _N1_     1    28.72546    95.76884   -24.53900
    2     1 S   H    _HN1     2     1.02950    75.34100    11.21472
    3     1 S   H    _H1_     3     1.02829    32.80225   176.29366
    4     1 S   H    _H2_     4     1.02786   111.07372   -93.14963
    5     1 S   CT   _CA1     5     1.50106   131.23726   115.69465
    6     5 S   HC   _HA1     6     1.09572   105.20675    89.54707
    7     5 S   CO3  _C1_     7     1.53789   112.45196   -30.71258
    8     7 S   O2Z  _O11     8     1.26371   115.00845   -42.96006
    9     7 S   O2Z  _O12     9     1.26240   114.94710   136.20211
   10     5 S   CT   _CB1    10     1.53082   107.42695  -152.46099
   11    10 S   HC   HB11    11     1.09832   109.39126   -49.75135
   12    10 S   HC   HB12    12     1.09813   110.44289    66.86050
   13    10 S   CT   _CG1    13     1.52990   112.59400  -170.72769
   14    13 S   HC   HG11    14     1.09582   110.62534   -65.21594
   15    13 S   HC   HG12    15     1.09669   109.79288    54.01256
   16    13 S   C    _CD1    16     1.51798   112.23665   174.48022
   17    16 S   O    _OE1    17     1.22730   123.29006     6.43364
   18    16 S   N    _N2_    18     1.38657   111.66517  -173.66123
   19    18 S   H    _HN2    19     1.01582   118.93159     1.89155
   20    18 S   CT1  _CA2    20     1.46208   123.40776   177.63711
   21    20 S   HC   _HA2    21     1.09736   109.34808     3.10766
   22    20 S   C    _C2_    22     1.53564   108.63759  -112.38368
   23    22 S   O    _O2_    23     1.23058   122.28339  -148.00532
   24    20 S   CT   _CB2    32     1.53300   111.56519   125.09886
   25    24 S   HC   HB21    33     1.09590   110.13701    56.33469
   26    24 S   HC   HB22    34     1.09517   110.21761   175.42782
   27    22 S   N    _N3_    24     1.38329   113.72561    39.44579
   28    27 S   H    _HN3    25     1.01580   119.59910    -3.30263
   29    24 S   S    _SG2    35     1.82551   111.65773   -64.65260
   30    27 S   CT   _CA3    26     1.45289   123.21367   177.14933
   31    30 S   HC   HA31    27     1.09549   107.50994   -64.63539
   32    30 S   HC   HA32    28     1.09557   107.98805    51.80651
   33    29 S   CT   _C18    36     1.81371    98.67953   178.33705
   34    33 S   F    F1__    37     1.35714   109.86258    57.95622
   35    33 S   F    F2__    38     1.35829   109.73647   -59.20864
   36    30 S   CO3  _C3_    29     1.52961   114.07533   173.80090
   37    36 S   O2Z  _O31    30     1.26378   116.06502    -0.70332
   38    36 S   O2Z  _O32    31     1.26428   114.41386   179.35989
   39    33 S   CT   _C17    39     1.52349   111.11892   179.61590
   40    39 S   HC   _H16    40     1.09638   110.05211   -59.05961
   41    39 S   HC   _H17    41     1.09753   109.80391    59.08550
   42    39 S   CT   _C16    42     1.53507   111.06972   179.61743
   43    42 S   HC   _H14    43     1.09865   109.40448   -61.88593
   44    42 S   HC   _H15    44     1.09256   110.60469    52.61357
   45    42 S   CA   _C15    45     1.51163   112.13457   177.83535
   46    45 S   CA   _C14    46     1.40875   117.04400    79.09031
   47    46 S   HA   _H13    47     1.08840   120.01232    -0.06853
   48    46 S   CA   _C13    48     1.39537   121.49081   179.72876
   49    48 S   HA   _H12    49     1.08610   119.99106  -179.88986
   50    48 S   CA   _C12    50     1.38981   119.91519     0.00000
   51    50 S   HA   _H11    51     1.08615   120.07099  -179.81337
   52    50 S   CA   _C11    52     1.39339   119.95882     0.12820
   53    52 S   HA   _H10    53     1.08584   118.14637  -179.56795
   54    45 S   CA   _C10    54     1.40867   125.29428  -100.85616
   55    54 S   SY   _S1_    55     1.82130   121.78807    -0.32805
   56    55 S   OY   _O34    56     1.46047   102.10709    49.86584
   57    55 S   OY   _O35    57     1.46171   103.15559   168.37475
   58    55 S   NM   _N8_    58     1.59212   104.62711   -71.64605
   59    58 S   C    _C9_    59     1.33381   116.93691   177.79788
   60    59 S   O    _O36    60     1.23537   126.81628     0.00000
   61    59 S   N    _N7_    61     1.39342   115.68345  -179.98022
   62    61 S   H    _H9_    62     1.01486   115.59193   180.00000
   63    61 S   CQ   _C6_    63     1.41287   130.49480    -0.19782
   64    63 S   NB   _N4_    64     1.34523   114.90720  -179.64723
   65    64 S   CQ   _C5_    65     1.34470   115.74123   179.94766
   66    65 S   NB   _N6_    66     1.34122   125.09604    -0.86366
   67    65 S   CT   _C4_    74     1.49530   117.39833  -178.59542
   68    67 S   HC   _H3_    75     1.09384   109.69123    88.80991
   69    67 S   HC   _H4_    76     1.09433   110.65651  -151.13338
   70    67 S   HC   _H5_    77     1.09433   110.64206   -31.23693
   71    66 S   CQ   _C7_    67     1.33921   114.40834     1.03892
   72    63 S   NB   _N5_    68     1.34171   121.43027     0.14265
   73    71 S   OS   _O33    69     1.38451   114.57928   179.98022
   74    73 S   CT   _C8_    70     1.42459   113.83413  -176.47236
   75    74 S   HC   _H6_    71     1.09412   107.84918   179.08144
   76    74 S   HC   _H7_    72     1.09485   110.92198    61.22378
   77    74 S   HC   _H8_    73     1.09532   111.18916   -62.91271
  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   7   5   4   3
   9   5   4   2   1   1   8   5   4   9   4   3  12   8   4   6
   3   5   3   6   2   5   6   3   2   5   6   3   6   3   7   8
   8   8   4   2   1   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    54  
   41    42    43    44    45  
   42    43    44    45  
   43    44    45    46    47    48    52    54    55  
   44    45    46    54  
   45    46    54  
   46    47    48    49    50    52    53    54    55    56    57    58  
   47    48    49    50    51    52    54    55  
   48    49    50    54  
   49    50    51    52    53    54  
   50    51    52  
   51    52    53    54    55  
   52    53    54  
   53    54    55    56    57    58  
   54    55  
   55    56    57    58    59  
   56    57    58    59    60    61  
   57    58    59  
   58    59  
   59    60    61    62    63  
   60    61    62    63    64    72  
   61    62    63  
   62    63    64    65    71    72  
   63    64    72  
   64    65    66    71    72    73    67  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    73    74    67    68    69    70  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76    77  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.2500   0.0620   0.111600   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.015900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   56   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   57   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   58   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   59   3.7500   0.1050   0.745000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.2500   0.1700  -0.498700   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5500   0.0700   1.011200   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2800   0.1700  -0.926200   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5500   0.0700   0.811200   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2800   0.1700  -0.926200   1.8000   1.6000   0.001000000  -0.511443539
   67   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   1.026200   2.5000   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.926200   1.8000   1.6000   0.001000000  -0.511443539
   73   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.510
   45    46   469.000  1.400
   45    54   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   225.000  1.779
   55    56   735.000  1.471
   55    57   735.000  1.471
   55    58   350.000  1.613
   58    59   495.000  1.346
   59    60   570.000  1.229
   59    61   490.000  1.335
   61    62   434.000  1.010
   61    63   380.000  1.360
   63    64   502.000  1.324
   63    72   502.000  1.324
   64    65   502.000  1.324
   65    66   502.000  1.324
   65    67   317.000  1.510
   66    71   502.000  1.324
   71    72   502.000  1.324
   71    73   480.000  1.338
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    70.00000  112.17500
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    45    46    70.00000  120.00000
   42    45    54    70.00000  120.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    46    47    35.00000  120.00000
   45    46    48    63.00000  120.00000
   45    54    52    63.00000  120.00000
   45    54    55    65.00000  117.06700
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    65.00000  117.06700
   54    45    46    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56   100.00000  107.67100
   54    55    57   100.00000  107.67100
   54    55    58   105.00000   98.50000
   55    58    59    75.00000  119.03800
   57    55    56   115.00000  120.17200
   58    55    56   105.00000  114.79700
   58    55    57   105.00000  114.79700
   58    59    60    85.00000  128.94100
   58    59    61    80.00000  119.15700
   59    61    62    35.00000  119.80000
   59    61    63    60.00000  123.52000
   61    59    60    80.00000  122.90000
   61    63    64    80.00000  116.09000
   61    63    72    80.00000  116.09000
   63    61    62    45.00000  118.23600
   63    64    65    85.00000  113.71000
   63    72    71    85.00000  113.71000
   64    65    66    70.00000  129.10000
   64    65    67    75.00000  115.74700
   65    66    71    85.00000  113.71000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   66    71    72    70.00000  129.10000
   66    71    73    95.00000  114.59000
   71    73    74    90.00000  112.27000
   72    63    64    70.00000  129.10000
   73    71    72    95.00000  114.59000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    65    66    75.00000  115.74700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45  -0.03700  1.0 1.0
   33    39    42    45   0.37200 -1.0 2.0
   33    39    42    45  -0.47300  1.0 3.0
   34    33    39    40   0.22100  1.0 3.0
   34    33    39    41   0.22100  1.0 3.0
   34    33    39    42   0.39650  1.0 1.0
   34    33    39    42  -0.18350 -1.0 2.0
   34    33    39    42   0.41450  1.0 3.0
   35    33    39    40   0.22100  1.0 3.0
   35    33    39    41   0.22100  1.0 3.0
   35    33    39    42   0.39650  1.0 1.0
   35    33    39    42  -0.18350 -1.0 2.0
   35    33    39    42   0.41450  1.0 3.0
   39    42    45    46   0.04150 -1.0 2.0
   39    42    45    54   0.04150 -1.0 2.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.43200  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    45   0.43200  1.0 3.0
   42    45    46    47   3.62500 -1.0 2.0
   42    45    46    48   3.62500 -1.0 2.0
   42    45    54    52   3.62500 -1.0 2.0
   42    45    54    55   3.62500 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    54   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    54   0.00000  1.0 1.0
   45    46    48    49   3.62500 -1.0 2.0
   45    46    48    50   3.62500 -1.0 2.0
   45    54    55    56   0.19500  1.0 1.0
   45    54    55    56   0.12000 -1.0 2.0
   45    54    55    57   0.19500  1.0 1.0
   45    54    55    57   0.12000 -1.0 2.0
   45    54    55    58  -0.49050  1.0 1.0
   45    54    55    58   0.22250 -1.0 2.0
   45    54    55    58  -0.39350  1.0 3.0
   46    45    54    52   3.62500 -1.0 2.0
   46    45    54    55   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   46    48   -50    52   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50    52    54   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52   -54    45   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    56   0.19500  1.0 1.0
   52    54    55    56   0.12000 -1.0 2.0
   52    54    55    57   0.19500  1.0 1.0
   52    54    55    57   0.12000 -1.0 2.0
   52    54    55    58  -0.49050  1.0 1.0
   52    54    55    58   0.22250 -1.0 2.0
   52    54    55    58  -0.39350  1.0 3.0
   53    52    54    45   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   54    45    46    47   3.62500 -1.0 2.0
   54    45   -46    48   3.62500 -1.0 2.0
   54    55    58    59  -0.64500  1.0 1.0
   54    55    58    59  -1.19050 -1.0 2.0
   54    55    58    59  -0.04400  1.0 3.0
   55    58    59    60   7.00000 -1.0 2.0
   55    58    59    61   3.00000 -1.0 2.0
   56    55    58    59   0.64800  1.0 1.0
   56    55    58    59   0.05750 -1.0 2.0
   56    55    58    59   0.28250  1.0 3.0
   57    55    58    59   0.64800  1.0 1.0
   57    55    58    59   0.05750 -1.0 2.0
   57    55    58    59   0.28250  1.0 3.0
   58    59    61    62   2.56700 -1.0 2.0
   58    59    61    63   2.45000 -1.0 2.0
   59    61    63    64   0.96250 -1.0 2.0
   59    61    63    72   0.96250 -1.0 2.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   0.04000 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    72    71   3.62500 -1.0 2.0
   62    61    63    64   0.96250 -1.0 2.0
   62    61    63    72   0.96250 -1.0 2.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    67   3.62500 -1.0 2.0
   64    63    72    71   3.62500 -1.0 2.0
   64    65   -66    71   3.62500 -1.0 2.0
   64    65    67    68   0.00000  1.0 1.0
   64    65    67    69   0.00000  1.0 1.0
   64    65    67    70   0.00000  1.0 1.0
   65    66    71    72   3.62500 -1.0 2.0
   65    66    71    73   3.62500 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.00000  1.0 1.0
   66    71   -72    63   3.62500 -1.0 2.0
   66    71    73    74   2.62500 -1.0 2.0
   71    73    74    75   0.08050  1.0 3.0
   71    73    74    76   0.08050  1.0 3.0
   71    73    74    77   0.08050  1.0 3.0
   72    63   -64    65   3.62500 -1.0 2.0
   72    71    73    74   2.62500 -1.0 2.0
   73    71    72    63   3.62500 -1.0 2.0
   67    65    66    71   3.62500 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   46    54    45    42   4.00000 -1.0 2.0
   48    47    46    45   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   52    55    54    45   4.00000 -1.0 2.0
   58    61    59    60  10.50000 -1.0 2.0
   62    59    61    63   1.00000 -1.0 2.0
   64    72    63    61   4.00000 -1.0 2.0
   67    66    65    64   4.00000 -1.0 2.0
   72    73    71    66   4.00000 -1.0 2.0
END
