* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    127    188     369
    1     0 S   NP   _N1_     1    28.70868    94.52892   -22.38310
    2     1 S   H    _HN1     2     1.03011    84.45167     0.18557
    3     1 S   H    _H1_     3     1.02798    27.99586   144.77693
    4     1 S   H    _H2_     4     1.02880   100.49804  -106.62864
    5     1 S   CT   _CA1     5     1.50308   136.33487   114.39846
    6     5 S   HC   _HA1     6     1.09551   105.42940    73.55041
    7     5 S   CO3  _C1_     7     1.53723   112.46829   -47.20439
    8     7 S   O2Z  _O11     8     1.26369   115.09383   -47.68019
    9     7 S   O2Z  _O12     9     1.26242   114.88345   131.64571
   10     5 S   CT   _CB1    10     1.52777   106.97090  -168.55416
   11    10 S   HC   HB11    11     1.09846   109.06485   -52.13807
   12    10 S   HC   HB12    12     1.09640   109.73797    64.00878
   13    10 S   CT   _CG1    13     1.53031   113.92128  -173.61168
   14    13 S   HC   HG11    14     1.09554   110.80776   -63.97739
   15    13 S   HC   HG12    15     1.09604   110.05360    55.78995
   16    13 S   C    _CD1    16     1.51756   111.15075   176.06319
   17    16 S   O    _OE1    17     1.22845   123.13954     4.66522
   18    16 S   N    _N2_    18     1.38493   112.81987  -174.97274
   19    18 S   H    _HN2    19     1.01573   119.54264     3.19782
   20    18 S   CT1  _CA2    20     1.45979   121.64880   177.67813
   21    20 S   HC   _HA2    21     1.09496   109.22863    24.99591
   22    20 S   C    _C2_    22     1.52944   105.29286   -90.35361
   23    22 S   O    _O2_    23     1.22826   123.08936   -95.90341
   24    20 S   CT   _CB2    32     1.53046   112.26835   147.89840
   25    24 S   HC   HB21    33     1.09614   110.29333    54.95218
   26    24 S   HC   HB22    34     1.09558   110.94241   173.15582
   27    22 S   N    _N3_    24     1.38610   112.04252    80.91556
   28    27 S   H    _HN3    25     1.01685   119.41450    -0.08156
   29    24 S   S    _SG2    35     1.83014   112.86194   -64.49494
   30    27 S   CT   _CA3    26     1.45197   123.66949  -177.12268
   31    30 S   HC   HA31    27     1.09532   107.43788   -67.03755
   32    30 S   HC   HA32    28     1.09542   108.13088    49.50745
   33    29 S   CT   _C16    36     1.82790    99.94799   -72.74597
   34    33 S   HC   _H19    37     1.09050   109.83735    40.17384
   35    33 S   HC   _H20    38     1.09511   107.63981   -76.29975
   36    30 S   CO3  _C3_    29     1.53143   113.82157   171.37436
   37    36 S   O2Z  _O31    30     1.26493   116.16886    -3.82817
   38    36 S   O2Z  _O32    31     1.26391   114.42842   176.20801
   39    33 S   CT   _C15    39     1.53432   112.79929   163.38849
   40    39 S   HC   _H17    40     1.09666   109.88469   176.00585
   41    39 S   HC   _H18    41     1.09794   108.54564    62.57233
   42    39 S   NE   _N5_    42     1.47497   113.29088   -60.51857
   43    42 S   CA   _C6_    43     1.39608   122.02455   -68.32862
   44    42 S   CT   _C13    65     1.47373   116.42234   110.64886
   45    44 S   HC   _H13    66     1.09591   110.53093  -128.36934
   46    44 S   HC   _H14    67     1.09782   110.46240   -13.64966
   47    43 S   CA   _C5_    44     1.40868   122.37461   -14.46981
   48    47 S   HA   _H5_    45     1.08690   121.01639    -2.11257
   49    44 S   CT   _C14    68     1.52784   112.43697   107.89051
   50    49 S   Cl   Cl1_    69     1.78182   111.80950   -66.30888
   51    49 S   HC   _H15    70     1.09411   109.88050   175.07157
   52    49 S   HC   _H16    71     1.09309   112.43478    54.61827
   53    47 S   CA   _C4_    46     1.40349   122.56433   177.57231
   54    53 S   HA   _H4_    47     1.08729   118.92037  -178.72252
   55    53 S   CA   _C9_    48     1.39339   120.60042     0.42058
   56    55 S   CA   _C8_    49     1.39438   118.16048     1.56122
   57    56 S   HA   _H7_    50     1.08778   120.34244   179.71264
   58    55 S   CT   _C10    53     1.51020   121.44053  -176.03138
   59    58 S   HC   _H8_    54     1.09825   109.82391   -26.32055
   60    58 S   HC   _H9_    55     1.09863   107.93686  -140.56500
   61    43 S   CA   _C7_    51     1.40822   122.24109   165.05176
   62    61 S   HA   _H6_    52     1.08659   121.38337     0.57198
   63    58 S   CT   _C11    56     1.53555   112.29202    97.50101
   64    63 S   HC   _H3_    57     1.09226   111.29752    38.75442
   65    63 S   CO3  _C12    58     1.53306   108.58221   158.14581
   66    65 S   O2Z  _O34    59     1.26312   115.20192    74.69637
   67    65 S   O2Z  _O33    60     1.26457   114.73420  -105.83283
   68    63 S   NP   _N4_    61     1.49640   109.31441   -77.10841
   69    68 S   H    _H10    62     1.02824   111.43572   -64.41458
   70    68 S   H    _H11    63     1.03324   111.80374   175.91213
   71    68 S   H    _H12    64     1.02790   111.87055    57.42309
  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
   8   5   4   2   1   1  10   4   3  14  13   8   5   4   8   4
   3   2   1   1   9   3  11   7   3  12   5   4   1   1   8   7
   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    47    61    44    45    46    49  
   41    42    43    44  
   42    43    44  
   43    47    48    53    56    61    62    44    45    46    49    50    51    52  
   47    48    53    54    55    56    57    61    62    44    45    46    49  
   45    46    49    50    51    52    47    61  
   46    49    50    51    52  
   49    50    51    52  
   48    53    54    55    56    61    62    58  
   53    54    55    61  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    61    58    59    60    63  
   55    56    58  
   56    57    61    62    58    59    60    63    64    65    68  
   57    61    62    58    59    60    63  
   61    62    58  
   59    60    63    64    65    66    67    68    69    70    71    61  
   60    63    64    65    68  
   63    64    65    68  
   62  
    0  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   51   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   66   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   67   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   68   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   69   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   382.000  1.448
   42    43   481.000  1.340
   42    44   382.000  1.448
   43    47   469.000  1.400
   43    61   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    58   317.000  1.510
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    68   367.000  1.471
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   245.000  1.781
   49    51   340.000  1.090
   49    52   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    80.00000  111.61500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    50.00000  120.00000
   39    42    44    50.00000  115.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    47    70.00000  120.10000
   42    43    61    70.00000  120.10000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    49    80.00000  111.61500
   43    47    48    35.00000  120.00000
   43    47    53    63.00000  120.00000
   43    61    56    63.00000  120.00000
   43    61    62    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    55    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    58    70.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.17500
   56    61    62    35.00000  120.00000
   61    43    47    63.00000  120.00000
   61    56    57    35.00000  120.00000
   58    55    56    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    65    70.00000  109.69300
   58    63    68    80.00000  111.20000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    65    66    70.00000  117.00000
   63    65    67    70.00000  117.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   65    63    64    35.00000  109.50000
   67    65    66    80.00000  126.00000
   68    63    64    35.00000  109.50000
   68    63    65    80.00000  109.26000
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   44    42    43    50.00000  120.00000
   44    49    50    69.00000  109.80000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   51    49    50    51.00000  107.60000
   52    49    50    51.00000  107.60000
   52    49    51    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.12500  1.0 1.0
   33    39    42    43  -0.12500 -1.0 2.0
   33    39    42    43   0.25000  1.0 3.0
   33    39    42    44   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.22950  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.22950  1.0 3.0
   39    42    43    47  -1.00000  1.0 1.0
   39    42    43    47   1.25000 -1.0 2.0
   39    42    43    61  -1.00000  1.0 1.0
   39    42    43    61   1.25000 -1.0 2.0
   39    42    44    45   0.00000  1.0 1.0
   39    42    44    46   0.00000  1.0 1.0
   39    42    44    49   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    44   0.00000  1.0 1.0
   42    43    47    48   3.62500 -1.0 2.0
   42    43    47    53   3.62500 -1.0 2.0
   42    43    61    56   3.62500 -1.0 2.0
   42    43    61    62   3.62500 -1.0 2.0
   42    44    49    50   1.15000  1.0 1.0
   42    44    49    50  -0.54150 -1.0 2.0
   42    44    49    50   0.79350  1.0 3.0
   42    44    49    51   0.22950  1.0 3.0
   42    44    49    52   0.22950  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    49  -0.12500  1.0 1.0
   43    42    44    49  -0.12500 -1.0 2.0
   43    42    44    49   0.25000  1.0 3.0
   43    47    53    54   3.62500 -1.0 2.0
   43    47    53    55   3.62500 -1.0 2.0
   47    43    61    56   3.62500 -1.0 2.0
   47    43    61    62   3.62500 -1.0 2.0
   47    53   -55    56   3.62500 -1.0 2.0
   47    53    55    58   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    55   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55    56    61   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    63   0.04150 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56   -61    43   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    58    63    64   0.43200  1.0 3.0
   55    58    63    65  -2.95950  1.0 1.0
   55    58    63    65   0.02300  1.0 3.0
   55    58    63    68   1.24050  1.0 1.0
   55    58    63    68   0.48100 -1.0 2.0
   55    58    63    68   1.08150  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    63   0.04150 -1.0 2.0
   57    56    61    43   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    43    47    48   3.62500 -1.0 2.0
   61    43   -47    53   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   58    63    65    66   0.41150 -1.0 2.0
   58    63    65    67   0.41150 -1.0 2.0
   58    63    68    69   0.17350  1.0 3.0
   58    63    68    70   0.17350  1.0 3.0
   58    63    68    71   0.17350  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65  -0.11250  1.0 3.0
   59    58    63    68   0.19200  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65  -0.11250  1.0 3.0
   60    58    63    68   0.19200  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    68    69   0.13050  1.0 3.0
   64    63    68    70   0.13050  1.0 3.0
   64    63    68    71   0.13050  1.0 3.0
   65    63    68    69   0.17350  1.0 3.0
   65    63    68    70   0.17350  1.0 3.0
   65    63    68    71   0.17350  1.0 3.0
   68    63    65    66   0.30150 -1.0 2.0
   68    63    65    67   0.30150 -1.0 2.0
   44    42    43    47  -1.00000  1.0 1.0
   44    42    43    47   1.25000 -1.0 2.0
   44    42    43    61  -1.00000  1.0 1.0
   44    42    43    61   1.25000 -1.0 2.0
   45    44    49    50   0.27000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.27000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   44    43    42    39   1.00000 -1.0 2.0
   47    61    43    42   4.00000 -1.0 2.0
   53    48    47    43   1.10000 -1.0 2.0
   55    54    53    47   1.10000 -1.0 2.0
   56    58    55    53   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   56    62    61    43   1.10000 -1.0 2.0
   66    63    65    67  10.50000 -1.0 2.0
END
