* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    135    207     392
    1     0 S   NP   _N1_     1    29.12529    95.00559   -20.11438
    2     1 S   H    _HN1     2     1.02809    77.58845   -86.64381
    3     1 S   H    _H1_     3     1.02940    90.05198    21.97389
    4     1 S   H    _H2_     4     1.02860    41.94577   138.14156
    5     1 S   CT   _CA1     5     1.49983   151.34151   159.81284
    6     5 S   HC   _HA1     6     1.09558   105.43519    44.46977
    7     5 S   CO3  _C1_     7     1.53975   112.09090   -76.25103
    8     7 S   O2Z  _O11     8     1.26435   115.14557   -55.32670
    9     7 S   O2Z  _O12     9     1.26185   114.92507   124.44785
   10     5 S   CT   _CB1    10     1.53161   107.57688   162.66388
   11    10 S   HC   HB11    11     1.09813   110.07917   -47.93009
   12    10 S   HC   HB12    12     1.09803   110.03637    68.59479
   13    10 S   CT   _CG1    13     1.53087   112.35891  -168.76420
   14    13 S   HC   HG11    14     1.09575   110.73461   -48.72381
   15    13 S   HC   HG12    15     1.09621   109.97560    70.27600
   16    13 S   C    _CD1    16     1.51751   112.18264  -168.80734
   17    16 S   O    _OE1    17     1.22709   123.28046    -4.55329
   18    16 S   N    _N2_    18     1.38558   111.68730   174.29254
   19    18 S   H    _HN2    19     1.01617   119.06880     4.67202
   20    18 S   CT1  _CA2    20     1.46323   123.31272  -176.20894
   21    20 S   HC   _HA2    21     1.09718   109.44533   -12.15670
   22    20 S   C    _C2_    22     1.53307   108.48834  -128.06845
   23    22 S   O    _O2_    23     1.23010   122.33546  -147.75235
   24    20 S   CT   _CB2    32     1.53519   111.01064   109.84075
   25    24 S   HC   HB21    33     1.09305   108.85176    56.73053
   26    24 S   HC   HB22    34     1.09490   110.59087   175.11942
   27    22 S   N    _N3_    24     1.38327   113.41902    39.61224
   28    27 S   H    _HN3    25     1.01648   119.52932    -3.38640
   29    24 S   S    _SG2    35     1.83264   111.20042   -65.31416
   30    27 S   CT   _CA3    26     1.45307   123.14292   177.03661
   31    30 S   HC   HA31    27     1.09549   107.48298   -64.86688
   32    30 S   HC   HA32    28     1.09555   108.00930    51.56949
   33    29 S   CT   _C18    36     1.86544   101.86255   154.40556
   34    33 S   Cl   Cl1_    37     1.82184   109.42184   177.72652
   35    30 S   CO3  _C3_    29     1.52943   114.07584   173.54232
   36    35 S   O2Z  _O31    30     1.26373   116.00086    -2.10003
   37    35 S   O2Z  _O32    31     1.26421   114.43920   177.99348
   38    33 S   CM   _C13    38     1.56971   109.82898   -64.02962
   39    38 S   CM   _C11    39     1.36782   126.53000   -67.68480
   40    38 S   CM   _C14    67     1.48262   113.26481   116.18687
   41    40 S   HC   _H17    68     1.08343   119.14124  -177.68303
   42    39 S   CD   _C10    40     1.48996   121.79350   180.00000
   43    42 S   HC   _H14    41     1.09723   118.75276   -25.65223
   44    40 S   CM   _C15    69     1.34119   125.05143     3.97877
   45    44 S   Cl   Cl3_    70     1.72975   120.31976   179.46992
   46    42 S   NI   _N6_    42     1.29096   123.57686   157.74084
   47    44 S   CM   _C16    71     1.43278   122.32377     0.44806
   48    47 S   HC   _H18    72     1.08609   118.57380   177.45324
   49    46 S   CDX  _C9_    43     1.38333   118.59976    -3.44793
   50    33 S   CM   _C17    73     1.52897   107.76022    62.84868
   51    50 S   Cl   Cl2_    74     1.74264   118.82313    60.73060
   52    49 S   NI   _N7_    44     1.30929   121.11389    15.20732
   53    49 S   NE   _N5_    49     1.39577   118.57225  -165.30806
   54    39 S   CG   _C12    45     1.49422   129.32808    -1.49187
   55    53 S   CT   _C6_    50     1.46577   122.99352  -175.44680
   56    55 S   HC   _H8_    51     1.09511   112.35542    -7.76438
   57    55 S   HC   _H9_    52     1.09729   109.14441  -125.68473
   58    54 S   NIP  _N8_    46     1.27848   126.81363    39.69400
   59    58 S   H    _H15    47     1.01925   122.65052    -0.91941
   60    58 S   H    _H16    48     1.02124   119.82106   176.49938
   61    55 S   CT   _C5_    53     1.53359   109.22929   113.78360
   62    61 S   HC   _H6_    54     1.09652   108.36970   176.65344
   63    61 S   HC   _H7_    55     1.09777   109.49772   -66.34652
   64    61 S   NT   _N4_    56     1.47384   111.13280    56.05060
   65    64 S   CT   _C8_    57     1.47395   110.64246   -56.80951
   66    65 S   HC   _H12    58     1.09827   110.55849   -64.76252
   67    65 S   HC   _H13    59     1.09652   109.69232   176.77602
   68    64 S   CT   _C4_    63     1.46205   110.55160  -179.62991
   69    68 S   HC   _H3_    64     1.09563   110.52519  -177.48518
   70    68 S   HC   _H4_    65     1.09605   112.24782    61.43203
   71    68 S   HC   _H5_    66     1.09563   110.52172   -59.64224
   72    53 S   CT   _C7_    60     1.46480   123.40099    -5.13935
   73    72 S   HC   _H10    61     1.09732   109.17153   125.91641
   74    72 S   HC   _H11    62     1.09475   112.49033     7.93974
  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
  12   6   2   1   1  14  13   8   3   7   3   5   3   6   3   2
  12   1   1   7  14   3  11   6   5   2   1   1  11   4   3  10
   9   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    54    40    41    44    47    48    50    51  
   38    39    40    47    50    51  
   36    37  
   37  
    0  
   39    42    43    46    52    54    58    40    41    44    45    47    50    51  
   42    43    46    49    52    54    58    59    60    40    41    44    50  
   41    44    45    47    48    50    42    54  
   44    45    47  
   43    46    49    52    54    58    53  
   46    49    54  
   45    47    48    50    51  
   47    48    50  
   49    52    54    53    55    72  
   48    50    51  
   50    51  
   52    54    58    53    55    56    57    61    65    72    73    74  
   51  
    0  
   54    58    59    60    53    55    72  
   55    56    57    61    62    63    64    65    66    67    72    73    74    54  
   58    59    60  
   56    57    61    62    63    64    65    72    73    74    68  
   57    61    62    63    64    72  
   61    62    63    64    72  
   59    60  
   60  
    0  
   62    63    64    65    66    67    72    68    69    70    71  
   63    64    65    68  
   64    65    68  
   65    66    67    72    73    74    68    69    70    71  
   66    67    72    73    74    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   52   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   53   3.2500   0.1700  -0.220000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.7500   0.1050   0.659000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.496500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   65   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   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   245.000  1.781
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   320.000  1.464
   39    54   400.000  1.403
   42    43   370.000  1.093
   42    46   500.000  1.261
   46    49   630.000  1.388
   49    52   650.000  1.285
   49    53   445.000  1.380
   52    54   440.000  1.338
   54    58   635.000  1.286
   58    59   490.000  1.015
   58    60   490.000  1.015
   53    55   382.000  1.448
   53    72   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   382.000  1.448
   64    65   382.000  1.448
   64    68   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    47   380.000  1.444
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   300.000  1.725
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.65400
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    60.00000  120.31500
   38    39    54    65.00000  121.68800
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    40.00000  113.81000
   39    42    46    70.00000  121.86000
   39    54    52    75.00000  109.42000
   39    54    58    65.00000  126.03000
   42    46    49    80.00000  112.72500
   46    42    43    45.00000  120.55300
   46    49    52    75.00000  130.08800
   46    49    53    75.00000  124.36500
   49    52    54    70.00000  113.10000
   49    53    55    50.00000  119.50000
   49    53    72    50.00000  119.50000
   52    54    58    85.00000  118.94000
   54    39    42    60.00000  120.31500
   54    58    59    45.00000  118.89500
   54    58    60    45.00000  118.89500
   60    58    59    30.00000  117.83200
   53    49    52    75.00000  124.36500
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    61    80.00000  111.61500
   53    72    65    80.00000  111.61500
   53    72    73    35.00000  109.50000
   53    72    74    35.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    56.20000  109.47000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    51.80000  107.20000
   61    64    68    51.80000  107.20000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    72    56.20000  109.47000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   67    65    66    33.00000  107.80000
   72    53    55    50.00000  115.00000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   74    72    73    33.00000  107.80000
   68    64    65    51.80000  107.20000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    47    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    50    70.00000  123.01800
   47    44    45    75.00000  121.50000
   47    50    51    75.00000  121.50000
   50    33    34    75.00000  111.90500
   50    33    38    70.00000  110.12100
   50    47    48    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    54   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    50    47   0.09700  1.0 1.0
   34    33    50    47   0.15600 -1.0 2.0
   34    33    50    47  -0.50800  1.0 3.0
   34    33    50    51   0.09700  1.0 1.0
   34    33    50    51   0.15600 -1.0 2.0
   34    33    50    51  -0.50800  1.0 3.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    42    43   1.36050 -1.0 2.0
   38    39    42    46   1.09650  1.0 1.0
   38    39    42    46   0.48950 -1.0 2.0
   38    39    42    46   0.49400  1.0 3.0
   38    39    54    52   1.09650  1.0 1.0
   38    39    54    52   0.48950 -1.0 2.0
   38    39    54    52   0.49400  1.0 3.0
   38    39    54    58   1.09700  1.0 1.0
   38    39    54    58   0.56350 -1.0 2.0
   38    39    54    58   0.49350  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    47   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    49   6.00000 -1.0 2.0
   39    54    58    59   2.00000 -1.0 2.0
   39    54    58    60   2.00000 -1.0 2.0
   42    39    54    52   1.09650  1.0 1.0
   42    39    54    52   0.48950 -1.0 2.0
   42    39    54    52   0.49400  1.0 3.0
   42    39    54    58   1.09700  1.0 1.0
   42    39    54    58   0.56350 -1.0 2.0
   42    39    54    58   0.49350  1.0 3.0
   42    46   -49    52   0.00050  1.0 1.0
   42    46   -49    52   2.00000 -1.0 2.0
   42    46    49    53   0.00050  1.0 1.0
   42    46    49    53   2.00000 -1.0 2.0
   43    42    46    49   4.00000 -1.0 2.0
   46    49    52    54   6.00000 -1.0 2.0
   46    49    53    55  -0.86000  1.0 1.0
   46    49    53    55   0.84650 -1.0 2.0
   46    49    53    72  -0.86000  1.0 1.0
   46    49    53    72   0.84650 -1.0 2.0
   49    52   -54    39   6.00000 -1.0 2.0
   49    52    54    58   6.00000 -1.0 2.0
   49    53    55    56   0.00000  1.0 1.0
   49    53    55    57   0.00000  1.0 1.0
   49    53    55    61   0.38950  1.0 1.0
   49    53    55    61  -0.47050 -1.0 2.0
   49    53    55    61   0.83150  1.0 3.0
   49    53    72    65   0.38950  1.0 1.0
   49    53    72    65  -0.47050 -1.0 2.0
   49    53    72    65   0.83150  1.0 3.0
   49    53    72    73   0.00000  1.0 1.0
   49    53    72    74   0.00000  1.0 1.0
   52    49    53    55  -0.86000  1.0 1.0
   52    49    53    55   0.84650 -1.0 2.0
   52    49    53    72  -0.86000  1.0 1.0
   52    49    53    72   0.84650 -1.0 2.0
   52    54    58    59   2.00000 -1.0 2.0
   52    54    58    60   2.00000 -1.0 2.0
   54    39    42    43   1.36050 -1.0 2.0
   54    39   -42    46   1.09650  1.0 1.0
   54    39   -42    46   0.48950 -1.0 2.0
   54    39   -42    46   0.49400  1.0 3.0
   53    49    52    54   6.00000 -1.0 2.0
   53    55    61    62   0.22950  1.0 3.0
   53    55    61    63   0.22950  1.0 3.0
   53    55    61    64   4.29400  1.0 1.0
   53    55    61    64   0.12050 -1.0 2.0
   55    53    72    65   0.00000  1.0 1.0
   55    53    72    73   0.00000  1.0 1.0
   55    53    72    74   0.00000  1.0 1.0
   55    61   -64    65   0.23450  1.0 1.0
   55    61   -64    65   0.02050 -1.0 2.0
   55    61   -64    65   0.25250  1.0 3.0
   55    61    64    68   0.58650  1.0 1.0
   55    61    64    68   0.12600 -1.0 2.0
   55    61    64    68   0.33350  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    64    65    66   0.28000  1.0 3.0
   61    64    65    67   0.28000  1.0 3.0
   61    64    65    72   0.23450  1.0 1.0
   61    64    65    72   0.02050 -1.0 2.0
   61    64    65    72   0.25250  1.0 3.0
   61    64    68    69   0.28000  1.0 3.0
   61    64    68    70   0.28000  1.0 3.0
   61    64    68    71   0.28000  1.0 3.0
   62    61    64    65   0.28000  1.0 3.0
   62    61    64    68   0.28000  1.0 3.0
   63    61    64    65   0.28000  1.0 3.0
   63    61    64    68   0.28000  1.0 3.0
   64    65   -72    53   4.29400  1.0 1.0
   64    65   -72    53   0.12050 -1.0 2.0
   64    65    72    73   0.15000  1.0 3.0
   64    65    72    74   0.15000  1.0 3.0
   65    64    68    69   0.28000  1.0 3.0
   65    64    68    70   0.28000  1.0 3.0
   65    64    68    71   0.28000  1.0 3.0
   66    65    72    53   0.22950  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   67    65    72    53   0.22950  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   72    53    55    56   0.00000  1.0 1.0
   72    53    55    57   0.00000  1.0 1.0
   72    53   -55    61   0.00000  1.0 1.0
   68    64    65    66   0.28000  1.0 3.0
   68    64    65    67   0.28000  1.0 3.0
   68    64    65    72   0.58650  1.0 1.0
   68    64    65    72   0.12600 -1.0 2.0
   68    64    65    72   0.33350  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    54   7.00000 -1.0 2.0
   40    44    47    48  -0.18600  1.0 3.0
   40    44    47    50   0.28850  1.0 1.0
   40    44    47    50   2.61350 -1.0 2.0
   40    44    47    50   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47   -50    33   7.00000 -1.0 2.0
   44    47    50    51   7.00000 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    50  -0.18600  1.0 3.0
   48    47    50    33   7.00000 -1.0 2.0
   48    47    50    51   7.00000 -1.0 2.0
   50    33    38    39  -0.28300  1.0 1.0
   50    33    38    39   0.26700 -1.0 2.0
   50    33    38    39  -0.63300  1.0 3.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  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
   33    40    38    39   1.10000 -1.0 2.0
   42    54    39    38   1.10000 -1.0 2.0
   39    43    42    46  10.50000 -1.0 2.0
   46    53    49    52  10.50000 -1.0 2.0
   52    39    54    58  10.50000 -1.0 2.0
   59    60    58    54   1.00000 -1.0 2.0
   72    49    53    55   1.00000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   44    48    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
END
