* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    118    179     346
    1     0 S   NP   _N1_     1    28.55971    99.10055   -21.82829
    2     1 S   H    _HN1     2     1.02777   105.46681  -108.97557
    3     1 S   H    _H1_     3     1.02957    58.28414    -6.68396
    4     1 S   H    _H2_     4     1.02835    52.03388   150.15969
    5     1 S   CT   _CA1     5     1.50154   142.14427    75.95521
    6     5 S   HC   _HA1     6     1.09576   105.18233   113.39849
    7     5 S   CO3  _C1_     7     1.53762   112.33692    -6.74081
    8     7 S   O2Z  _O11     8     1.26370   114.97803   -43.63762
    9     7 S   O2Z  _O12     9     1.26226   114.92105   135.29298
   10     5 S   CT   _CB1    10     1.53077   107.40249  -128.71871
   11    10 S   HC   HB11    11     1.09832   109.26362   -50.22883
   12    10 S   HC   HB12    12     1.09814   110.45370    66.30030
   13    10 S   CT   _CG1    13     1.53048   112.73334  -171.27701
   14    13 S   HC   HG11    14     1.09588   110.55425   -66.00166
   15    13 S   HC   HG12    15     1.09661   109.86433    53.22976
   16    13 S   C    _CD1    16     1.51863   112.19061   173.56185
   17    16 S   O    _OE1    17     1.22772   123.21808     3.95220
   18    16 S   N    _N2_    18     1.38560   111.82638  -176.01867
   19    18 S   H    _HN2    19     1.01563   119.12919     3.56886
   20    18 S   CT1  _CA2    20     1.45884   122.76428   177.17631
   21    20 S   HC   _HA2    21     1.09726   108.83819    26.57241
   22    20 S   C    _C2_    22     1.52913   106.73258   -90.51584
   23    22 S   O    _O2_    23     1.23001   122.90883   -30.15411
   24    20 S   CT   _CB2    32     1.53141   112.34646   149.83742
   25    24 S   HC   HB21    33     1.09599   110.29667    53.90896
   26    24 S   HC   HB22    34     1.09471   109.88764   172.86581
   27    22 S   N    _N3_    24     1.38501   112.70039   152.21969
   28    27 S   H    _HN3    25     1.01670   120.33784    -0.23239
   29    24 S   S    _SG2    35     1.82706   110.96170   -66.79000
   30    27 S   CT   _CA3    26     1.45389   122.41603   178.72804
   31    30 S   HC   HA31    27     1.09563   107.35023   -67.79243
   32    30 S   HC   HA32    28     1.09577   108.08234    48.54030
   33    29 S   CT   _C17    36     1.84383    99.75399   173.58073
   34    33 S   HC   _H3_    37     1.09769   105.96813   -50.65934
   35    30 S   CO3  _C3_    29     1.52894   114.46020   170.80345
   36    35 S   O2Z  _O31    30     1.26318   116.13887     3.31777
   37    35 S   O2Z  _O32    31     1.26465   114.40804  -176.59809
   38    33 S   CM   _C13    38     1.52245   110.46555    67.09748
   39    33 S   CT   _C18    64     1.54179   110.60413  -167.22623
   40    39 S   HC   _H34    65     1.09584   111.58691   -62.62401
   41    38 S   CM   _C10    39     1.34509   121.12050  -121.05924
   42    41 S   HC   _H29    40     1.08702   118.37659    -0.22029
   43    38 S   CO3  _C14    61     1.53940   118.61039    58.50512
   44    43 S   O2Z  _O17    62     1.26373   115.22968    80.55777
   45    43 S   O2Z  _O21    63     1.26506   114.97776   -99.10572
   46    39 S   CO3  _C15    66     1.54271   112.69212    61.43572
   47    46 S   O2Z  _O18    67     1.26360   115.12728  -123.79180
   48    46 S   O2Z  _O22    68     1.26503   115.26299    57.28667
   49    39 S   OH   _O24    69     1.43613   109.34858   179.01623
   50    49 S   HO   _H36    70     0.97362   107.06450   -66.35101
   51    41 S   CO4  _C11    41     1.49313   125.88098  -178.97207
   52    51 S   O    _O19    42     1.22486   123.40373    16.03626
   53    51 S   CA   _C7_    43     1.48779   117.32777  -167.15274
   54    53 S   CA   _C4_    44     1.40205   120.13288    36.64698
   55    54 S   HA   _H27    45     1.08809   119.98822     1.35552
   56    54 S   CA   _C6_    46     1.40450   121.00985  -179.53522
   57    56 S   CA   _C5_    47     1.40619   118.66511    -0.79966
   58    57 S   HA   _H28    48     1.08643   118.39052   179.89532
   59    56 S   CO3  _C12    58     1.51109   120.67246   179.11001
   60    59 S   O2Z  _O16    59     1.27062   117.26596    -4.83355
   61    59 S   O2Z  _O20    60     1.27083   117.28593   175.40974
   62    57 S   CA   _C8_    49     1.39991   121.17724    -0.23656
   63    53 S   CA   _C9_    50     1.40317   120.61957  -144.61430
   64    62 S   OS   _O25    53     1.37242   124.88255  -179.69868
   65    63 S   OH   _O23    51     1.37344   122.01389     0.39614
   66    65 S   HO   _H35    52     0.97361   109.08144    -8.30664
   67    64 S   CT   _C16    54     1.42218   117.30104     0.53449
   68    67 S   HC   _H30    55     1.09431   107.73051   179.66370
   69    67 S   HC   _H31    56     1.09498   111.16611    61.96404
   70    67 S   HC   _H32    57     1.09495   111.14051   -62.65510
  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   9   5   4   3
  15   7   2   1   1  12   8   5   9   4   3   1   1   4   2   1
   1   1   8   3  10  10   4   8   9   4   3   1   1   8   4   5
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    51    43    44    45    39    40    46    47    48    49    50  
   38    41    43    39    40    46    49  
   36    37  
   37  
    0  
   41    42    51    52    53    43    44    45    39    40    46    49  
   40    46    47    48    49    50    41    43  
   46    47    48    49    50  
   42    51    52    53    54    63    43    44    45  
   51    52    53    43  
   44    45    51  
   45  
    0  
   47    48    49    50  
   48    49  
   49  
   50  
    0  
   52    53    54    55    56    62    63    65  
   53    54    63  
   54    55    56    57    62    63    65    66    64    59  
   55    56    57    58    62    63    65    59    60    61  
   56    57    63    59  
   57    58    62    63    64    59    60    61  
   58    62    63    65    64    67    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    65    66    64    67    68    69    70  
   65    66    64    67  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   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    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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    43   230.000  1.545
   41    42   340.000  1.080
   41    51   320.000  1.462
   51    52   570.000  1.229
   51    53   310.000  1.470
   53    54   469.000  1.400
   53    63   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   400.000  1.490
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   656.000  1.250
   59    61   656.000  1.250
   43    44   656.000  1.250
   43    45   656.000  1.250
   39    40   340.000  1.090
   39    46   317.000  1.522
   39    49   320.000  1.410
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.04000
   33    39    40    37.50000  110.70000
   33    39    46    70.00000  109.69300
   33    39    49    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    51    65.00000  118.96000
   38    43    44    85.00000  113.83300
   38    43    45    85.00000  113.83300
   41    51    52    80.00000  123.72100
   41    51    53    65.00000  117.02400
   51    41    42    40.00000  117.72500
   51    53    54    60.00000  119.52600
   51    53    63    60.00000  119.52600
   53    51    52    75.00000  123.78400
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    63    62    63.00000  120.00000
   53    63    65    70.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    85.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    62    63.00000  120.00000
   56    59    60    80.00000  120.40000
   56    59    61    80.00000  120.40000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    70.00000  120.00000
   62    64    67    75.00000  111.00000
   63    53    54    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    56    57    85.00000  120.00000
   61    59    60    80.00000  126.00000
   43    38    41    55.00000  124.75400
   45    43    44    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    46    47    70.00000  117.00000
   39    46    48    70.00000  117.00000
   39    49    50    55.00000  108.50000
   46    39    40    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    39    40    35.00000  109.50000
   49    39    46    95.00000  109.52300
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   0.32350  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    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    39    49   0.56750  1.0 1.0
   29    33    39    49  -0.07550 -1.0 2.0
   29    33    39    49   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    45  -0.64400  1.0 1.0
   33    38    43    45   0.26850 -1.0 2.0
   33    39    46    47   0.41150 -1.0 2.0
   33    39    46    48   0.41150 -1.0 2.0
   33    39    49    50  -0.11600  1.0 1.0
   33    39    49    50  -0.09450 -1.0 2.0
   33    39    49    50   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    46  -0.11250  1.0 3.0
   34    33    39    49   0.23400  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    46  -0.98800  1.0 1.0
   38    33    39    46   0.48800 -1.0 2.0
   38    33    39    46   0.76800  1.0 3.0
   38    33    39    49   1.05650  1.0 1.0
   38    33    39    49   0.15600 -1.0 2.0
   38    33    39    49   0.53150  1.0 3.0
   38    41    51    52   1.00000 -1.0 2.0
   38    41    51    53  -1.65800  1.0 1.0
   38    41    51    53   0.77650 -1.0 2.0
   41    38    43    44  -0.04000 -1.0 2.0
   41    38    43    44  -0.29050  1.0 3.0
   41    38    43    45  -0.04000 -1.0 2.0
   41    38    43    45  -0.29050  1.0 3.0
   41    51    53    54  -0.11500  1.0 1.0
   41    51    53    54   1.10450 -1.0 2.0
   41    51    53    54  -0.48050  1.0 3.0
   41    51    53    63  -0.11500  1.0 1.0
   41    51    53    63   1.10450 -1.0 2.0
   41    51    53    63  -0.48050  1.0 3.0
   42    41    51    52   0.00000  1.0 1.0
   42    41    51    53   1.64500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53    63    62   3.62500 -1.0 2.0
   51    53    63    65   3.62500 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    51    53    63   1.05000 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    59   3.62500 -1.0 2.0
   53    63    65    66   0.84100 -1.0 2.0
   54    53    63    62   3.62500 -1.0 2.0
   54    53    63    65   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56   -57    62   3.62500 -1.0 2.0
   54    56    59    60   1.05000 -1.0 2.0
   54    56    59    61   1.05000 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57    62    64   3.62500 -1.0 2.0
   57    56    59    60   1.05000 -1.0 2.0
   57    56    59    61   1.05000 -1.0 2.0
   57    62   -63    53   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    64    67   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64    67    70   0.08050  1.0 3.0
   63    53    54    55   3.62500 -1.0 2.0
   63    53   -54    56   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    53   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    62   3.62500 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    51   7.00000 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.00000  1.0 1.0
   40    39    49    50   0.19450  1.0 3.0
   46    39    49    50   0.91850  1.0 1.0
   46    39    49    50   0.57950  1.0 3.0
   49    39    46    47   0.30150 -1.0 2.0
   49    39    46    48   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   51    42    41    38  15.00000 -1.0 2.0
   41    53    51    52  10.50000 -1.0 2.0
   54    63    53    51   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   62    65    63    53   4.00000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
   47    39    46    48  10.50000 -1.0 2.0
END
