* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    129    197     369
    1     0 S   NP   _N1_     1    28.05020    96.99538   -22.91002
    2     1 S   H    _HN1     2     1.02835    35.95711   149.50972
    3     1 S   H    _H1_     3     1.02777   106.30820  -112.34257
    4     1 S   H    _H2_     4     1.02957    73.81222    -7.48538
    5     1 S   CT   _CA1     5     1.50159   136.72424    95.27158
    6     5 S   HC   _HA1     6     1.09576   105.17607    89.84239
    7     5 S   CO3  _C1_     7     1.53755   112.29881   -30.27958
    8     7 S   O2Z  _O11     8     1.26370   114.98238   -44.49636
    9     7 S   O2Z  _O12     9     1.26225   114.91524   134.38014
   10     5 S   CT   _CB1    10     1.53073   107.39546  -152.30539
   11    10 S   HC   HB11    11     1.09833   109.24410   -50.29239
   12    10 S   HC   HB12    12     1.09813   110.46779    66.22439
   13    10 S   CT   _CG1    13     1.53058   112.74656  -171.33560
   14    13 S   HC   HG11    14     1.09586   110.56549   -66.25893
   15    13 S   HC   HG12    15     1.09661   109.86115    52.98120
   16    13 S   C    _CD1    16     1.51865   112.14190   173.29671
   17    16 S   O    _OE1    17     1.22784   123.22022     4.57526
   18    16 S   N    _N2_    18     1.38567   111.89267  -175.35894
   19    18 S   H    _HN2    19     1.01571   119.16762     2.91645
   20    18 S   CT1  _CA2    20     1.45800   122.66277   177.21920
   21    20 S   HC   _HA2    21     1.09749   108.78195    27.53979
   22    20 S   C    _C2_    22     1.53026   107.14729   -89.34408
   23    22 S   O    _O2_    23     1.22968   123.15492   -25.47923
   24    20 S   CT   _CB2    32     1.53338   112.54465   150.73297
   25    24 S   HC   HB21    33     1.09551   109.84655    54.18768
   26    24 S   HC   HB22    34     1.09304   109.52033   172.89091
   27    22 S   N    _N3_    24     1.38521   112.47819   157.19947
   28    27 S   H    _HN3    25     1.01652   120.31567    -2.48018
   29    24 S   S    _SG2    35     1.82564   110.94543   -66.06716
   30    27 S   CT   _CA3    26     1.45347   122.56022   178.42803
   31    30 S   HC   HA31    27     1.09566   107.93728   -53.11541
   32    30 S   HC   HA32    28     1.09557   107.51998    63.26032
   33    29 S   CT   _C11    36     1.89224   102.58230  -167.43156
   34    30 S   CO3  _C3_    29     1.52898   114.25494  -175.08116
   35    34 S   O2Z  _O31    30     1.26342   116.03961     0.27124
   36    34 S   O2Z  _O32    31     1.26429   114.42001  -179.79442
   37    33 S   CM   _C9_    37     1.54786   105.30868  -164.38055
   38    33 S   CT   _C13    63     1.55011   110.13702   -44.44104
   39    38 S   HC   _H10    64     1.09594   110.69134    65.26827
   40    38 S   HC   _H11    65     1.09664   111.92662   -55.80651
   41    37 S   N4   _N5_    38     1.36334   119.19144   -93.06203
   42    37 S   CMA  _C10    60     1.53059   120.67834    80.11949
   43    42 S   OM   _O35    61     1.26381   119.83257   106.07832
   44    42 S   OM   _O36    62     1.26257   121.52244   -74.32125
   45    38 S   OS   _O37    66     1.44323   109.75232  -177.05603
   46    41 S   C4   _C8_    39     1.35402   137.16765   162.90200
   47    46 S   O    _O34    40     1.20879   133.93713    -0.70332
   48    41 S   C4T  _C7_    42     1.44880   125.01252   -30.78229
   49    48 S   HC   _H3_    43     1.09875   111.39095   -71.42815
   50    45 S   CO4  _C14    67     1.36034   115.94282   178.78180
   51    50 S   O    _O38    68     1.22534   125.64073     2.99448
   52    46 S   C4T  _C6_    41     1.57985    89.54577  -176.66217
   53    48 S   S    _S1_    44     1.80481   110.94706    55.36168
   54    50 S   N    _N6_    69     1.36867   110.15390  -177.29948
   55    54 S   H    _H12    70     1.01281   121.09711   179.58035
   56    54 S   H    _H13    71     1.01326   120.75593     1.63734
   57    33 S   CT   _C12    45     1.55890   108.02411    73.69877
   58    57 S   HC   _H8_    46     1.09688   110.23787  -171.26219
   59    57 S   HC   _H9_    47     1.09423   111.86937   -53.91342
   60    52 S   CT   _C15    48     1.52345   114.00297   107.65464
   61    60 S   HC   _H14    49     1.09538   111.07931  -169.22033
   62    60 S   HC   _H15    50     1.09509   111.44828    70.59992
   63    60 S   HC   _H16    51     1.09554   111.61969   -48.69222
   64    52 S   N    _N4_    52     1.49315   114.76478  -124.07355
   65    64 S   H    _H7_    53     1.01709   118.56532   120.87042
   66    64 S   C    _C5_    54     1.38690   124.16614   -59.27760
   67    66 S   O    _O33    55     1.22702   125.79911    -1.92193
   68    66 S   CT   _C4_    56     1.50502   112.26661   179.16023
   69    68 S   HC   _H4_    57     1.09343   109.52786    69.98140
   70    68 S   HC   _H5_    58     1.09350   109.69187  -170.18630
   71    68 S   HC   _H6_    59     1.09379   110.22474   -50.56650
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   6  12   4  13
   5   4   3  11   5   2   1   1   2   1   1   6   3   2   1   7
   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    57    58    59    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    53    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    54    41    42    53    57    58    59  
   40    45    50    57  
   45    50    57  
   46    47    52    48    49    53    57    60    64    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    54    55    56    57  
   47    52    48    49    53    60    61    62    63    64    65    66  
   52    48    60    64  
   49    53    57    58    59    60    61    62    63    64    65    66    52  
   53    57    60    64    52  
   51    54    55    56  
   54    55    56  
   53    57    60    61    62    63    64    65    66    67    68  
   57    58    59    60    64  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68    69    70    71  
   68    69    70    71  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660   0.027700   1.9750   1.7500   0.005000000  -0.741685710
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   56   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    48   268.000  1.529
   52    60   260.000  1.519
   52    64   337.000  1.449
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   434.000  1.010
   64    66   490.000  1.335
   66    67   570.000  1.229
   66    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    54   435.000  1.380
   54    55   434.000  1.010
   54    56   434.000  1.010
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    53    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    52    48   100.00000   86.36000
   46    52    60    63.00000  111.10000
   46    52    64    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    53    65.00000  119.05700
   52    60    61    45.00000  111.22300
   52    60    62    45.00000  111.22300
   52    60    63    45.00000  111.22300
   52    64    65    38.00000  118.40000
   52    64    66    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    53    57    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    48    65.00000  119.52000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    48    80.00000  110.05700
   64    52    60    80.00000  110.05700
   64    66    67    80.00000  122.90000
   64    66    68    70.00000  116.60000
   66    64    65    35.00000  119.80000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   68    66    67    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    54   110.00000  108.75700
   50    54    55    50.00000  116.34900
   50    54    56    50.00000  116.34900
   54    50    51    85.00000  125.96000
   56    54    55    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    57    53   0.56750  1.0 1.0
   37    33    57    53  -0.07550 -1.0 2.0
   37    33    57    53   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   1.39750  1.0 1.0
   41    46    52    60  -0.07950 -1.0 2.0
   41    46    52    60  -0.18750  1.0 3.0
   41    46    52    64   0.00000  1.0 1.0
   41    48    53    57   0.01700  1.0 1.0
   41    48    53    57  -0.23550 -1.0 2.0
   41    48    53    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    53   0.00000  1.0 1.0
   46    52    60    61  -0.11250  1.0 3.0
   46    52    60    62  -0.11250  1.0 3.0
   46    52    60    63  -0.11250  1.0 3.0
   46    52    64    65   0.00000  1.0 1.0
   46    52    64    66  -0.42300  1.0 1.0
   46    52    64    66  -0.07000 -1.0 2.0
   46    52    64    66   0.04150  1.0 3.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   47    46    52    64   0.30150 -1.0 2.0
   52    48    53    57   0.25150  1.0 1.0
   52    48    53    57  -1.17200 -1.0 2.0
   52    48    53    57   0.53050  1.0 3.0
   52    64    66    67   3.04450 -1.0 2.0
   52    64    66    68   1.49850  1.0 1.0
   52    64    66    68   1.53950 -1.0 2.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    62   0.00000  1.0 1.0
   48    52    60    63   0.00000  1.0 1.0
   48    52    64    65   0.00000  1.0 1.0
   48    52    64    66  -0.43950  1.0 1.0
   48    52    64    66  -0.08100 -1.0 2.0
   48    52    64    66   0.03350  1.0 3.0
   48    53   -57    33  -0.25000 -1.0 2.0
   48    53   -57    33  -0.01800  1.0 3.0
   48    53    57    58   0.32350  1.0 3.0
   48    53    57    59   0.32350  1.0 3.0
   49    48    53    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.62750  1.0 1.0
   57    33    38    45  -0.30950 -1.0 2.0
   57    33    38    45   0.27300  1.0 3.0
   60    52   -48    41   0.43900  1.0 1.0
   60    52   -48    41   0.49100 -1.0 2.0
   60    52   -48    41   0.28400  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    53   0.44750  1.0 1.0
   60    52    48    53  -0.17800 -1.0 2.0
   60    52    48    53   0.20200  1.0 3.0
   60    52    64    65   0.00000  1.0 1.0
   60    52    64    66  -0.43950  1.0 1.0
   60    52    64    66  -0.08100 -1.0 2.0
   60    52    64    66   0.03350  1.0 3.0
   64    52   -48    41   2.20050  1.0 1.0
   64    52   -48    41   0.63450 -1.0 2.0
   64    52   -48    41  -0.91300  1.0 3.0
   64    52    48    49   0.15000  1.0 3.0
   64    52    48    53   0.00000  1.0 1.0
   64    52    60    61   0.15000  1.0 3.0
   64    52    60    62   0.15000  1.0 3.0
   64    52    60    63   0.15000  1.0 3.0
   64    66    68    69   0.00000  1.0 1.0
   64    66    68    70   0.00000  1.0 1.0
   64    66    68    71   0.00000  1.0 1.0
   65    64    66    67   2.45000 -1.0 2.0
   65    64    66    68   2.45000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.00000  1.0 1.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    53   0.44750  1.0 1.0
   38    33    57    53  -0.17800 -1.0 2.0
   38    33    57    53   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    54  -0.80800  1.0 1.0
   38    45    50    54   2.06850 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    54    55   2.56700 -1.0 2.0
   45    50    54    56   2.56700 -1.0 2.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    56   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   65    66    64    52   1.00000 -1.0 2.0
   64    68    66    67  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    54    50    51  10.50000 -1.0 2.0
   56    50    54    55   1.00000 -1.0 2.0
END
