* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    224     415
    1     0 S   NP   _N1_     1    29.11194    92.76451   -22.30997
    2     1 S   H    _HN1     2     1.02966    94.72255    29.15626
    3     1 S   H    _H1_     3     1.02828    19.00803   160.64262
    4     1 S   H    _H2_     4     1.02773    99.25888   -80.31081
    5     1 S   CT   _CA1     5     1.50151   129.52315   150.47898
    6     5 S   HC   _HA1     6     1.09579   105.19447    62.66692
    7     5 S   CO3  _C1_     7     1.53781   112.44068   -57.37911
    8     7 S   O2Z  _O11     8     1.26352   115.01867   -41.60425
    9     7 S   O2Z  _O12     9     1.26253   114.91742   137.45905
   10     5 S   CT   _CB1    10     1.53076   107.36215  -179.53438
   11    10 S   HC   HB11    11     1.09820   109.17561   -51.35531
   12    10 S   HC   HB12    12     1.09822   110.42314    65.10882
   13    10 S   CT   _CG1    13     1.53012   112.80074  -172.57889
   14    13 S   HC   HG11    14     1.09596   110.29966   -64.93708
   15    13 S   HC   HG12    15     1.09642   110.12798    54.31428
   16    13 S   C    _CD1    16     1.51793   112.25521   174.44543
   17    16 S   O    _OE1    17     1.22743   123.23069    -7.76286
   18    16 S   N    _N2_    18     1.38685   111.74582   172.92529
   19    18 S   H    _HN2    19     1.01582   119.12516     1.36530
   20    18 S   CT1  _CA2    20     1.46057   123.18483  -179.05996
   21    20 S   HC   _HA2    21     1.09577   109.23538    -7.10136
   22    20 S   C    _C2_    22     1.53457   108.98350  -122.31744
   23    22 S   O    _O2_    23     1.23044   122.03148  -148.51149
   24    20 S   CT   _CB2    32     1.53457   111.79800   115.09964
   25    24 S   HC   HB21    33     1.09659   109.54729    64.42367
   26    24 S   HC   HB22    34     1.09577   110.79912  -178.36243
   27    22 S   N    _N3_    24     1.38451   113.57771    39.04586
   28    27 S   H    _HN3    25     1.01511   118.93461    -0.77909
   29    24 S   S    _SG2    35     1.82862   114.91704   -55.29682
   30    27 S   CT   _CA3    26     1.45447   123.46990   174.89255
   31    30 S   HC   HA31    27     1.09522   109.25810    24.19632
   32    30 S   HC   HA32    28     1.09495   107.12535   141.21560
   33    29 S   CT   _C18    36     1.82577   100.00268   -66.67118
   34    33 S   HC   _H3_    37     1.09412   107.39811   -59.68699
   35    33 S   HC   _H4_    38     1.09336   109.39060    57.85005
   36    30 S   CO3  _C3_    29     1.52924   113.07118   -99.28410
   37    36 S   O2Z  _O31    30     1.26405   115.39452   -44.67492
   38    36 S   O2Z  _O32    31     1.26352   114.98938   136.23360
   39    33 S   CT   _C15    39     1.52994   110.97111   179.33060
   40    39 S   HC   _H33    40     1.09761   112.04329    42.16108
   41    39 S   CO4  _C6_    41     1.51050   113.02545   -80.01188
   42    41 S   O    _O16    42     1.22084   126.55569    41.72953
   43    41 S   OS   _O17    43     1.36456   109.69056  -139.87285
   44    43 S   CT   _C17    44     1.44118   110.60763    -1.07829
   45    44 S   HC   _H35    45     1.09809   107.12970   -95.41291
   46    44 S   CT   _C13    46     1.53810   108.09563   145.01077
   47    46 S   HC   _H31    47     1.10125   108.04936   -38.30844
   48    39 S   CT   _C16    63     1.53405   111.74620   166.29858
   49    48 S   HC   _H34    64     1.09891   109.16725    35.89921
   50    46 S   CM   _C5_    48     1.52064   115.76585    79.73032
   51    50 S   CT   _C14    49     1.50490   110.06034   153.90579
   52    51 S   HC   _H32    50     1.09561   110.96075   112.44870
   53    50 S   CM   _C8_    70     1.34087   127.00893   -23.99517
   54    53 S   HC   _H22    71     1.08548   120.79094   178.86737
   55    53 S   HC   _H23    72     1.08344   122.27921    -1.56498
   56    51 S   CT   _C11    51     1.52776   104.97008    -6.94868
   57    56 S   HC   _H28    52     1.09500   113.40764  -140.16553
   58    56 S   HC   _H29    53     1.09872   108.35114   101.29153
   59    51 S   OH   _O18    68     1.41843   110.71857  -126.97734
   60    59 S   HO   _H38    69     0.97224   107.40066   178.21732
   61    46 S   CT   _C12    54     1.54424   116.60389  -159.16033
   62    61 S   HC   _H30    55     1.09973   108.48134    86.55760
   63    61 S   CM   _C4_    56     1.52130   114.88247   -31.91411
   64    63 S   CT   _C9_    57     1.51350   114.86020    85.13246
   65    64 S   HC   _H24    58     1.09755   109.25199    47.06764
   66    64 S   HC   _H25    59     1.09807   110.26690   162.10666
   67    63 S   CM   _C7_    65     1.34263   125.37579   -98.30524
   68    67 S   HC   _H20    66     1.08165   122.65622     1.96901
   69    67 S   HC   _H21    67     1.08568   121.15066  -178.45757
   70    64 S   CT   _C10    60     1.52780   114.25583   -76.06368
   71    70 S   HC   _H26    61     1.09685   107.62327   178.31124
   72    70 S   HC   _H27    62     1.09810   109.16882   -67.07857
  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
  11   5   4   2   1   1  13   7   8   3   9  16   7  19   8  10
   4  13  12   7   5   1   1   9   5   4   2   1   9   3   9   8
   5   4   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    70    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64    70    71    72    48    49  
   41    42    43    44    70    48    49  
   42    43    44    45    46    70    48    49  
   43    44    48  
   44    45    46    47    50    61    70    48    49  
   45    46    47    50    51    56    61    62    63    64    70    71    72    48    49    53  
   46    47    50    61    70    48    49  
   47    50    51    52    56    57    58    61    62    63    64    70    48    49    67    59    53    54    55  
   50    51    56    61    62    63    48    53  
   49    50    61    63    64    65    66    70    71    72  
   64    70    71    72  
   51    52    56    57    58    61    62    63    59    60    53    54    55  
   52    56    57    58    61    62    63    59    60    53    54    55  
   56    57    58    61    59    60    53  
   54    55    56    59    61  
   55  
    0  
   57    58    61    62    63    64    67    59    60  
   58    61    62    63    59  
   61    62    63    59  
   60    61  
    0  
   62    63    64    65    66    70    67    68    69  
   63    64    67  
   64    65    66    70    71    72    67    68    69  
   65    66    70    71    72    67    68    69  
   66    70    71    72    67  
   70    71    72    67  
   68    69    70  
   69  
    0  
   71    72  
   72  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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    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   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    61   268.000  1.529
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   63    64   317.000  1.510
   63    67   549.000  1.340
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    48   268.000  1.529
   48    49   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   59    60   553.000  0.945
   53    54   340.000  1.080
   53    55   340.000  1.080
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    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    70    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    61    58.35000  112.70000
   44    48    70    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    65.00000  117.92700
   46    50    53    70.00000  124.00000
   46    61    56    58.35000  112.70000
   46    61    62    37.50000  110.70000
   46    61    63    70.00000  112.02700
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    59    90.00000  110.39200
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   51    59    60    55.00000  108.50000
   56    51    52    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    70.00000  112.02700
   58    56    57    33.00000  107.80000
   61    46    47    37.50000  110.70000
   61    46    50    70.00000  112.02700
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    63    64    65.00000  117.92700
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  109.50000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    70    70.00000  112.02700
   63    67    68    35.00000  120.00000
   63    67    69    35.00000  120.00000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    48    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    48    49    37.50000  110.70000
   72    70    71    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    70    71    37.50000  110.70000
   48    70    72    37.50000  110.70000
   67    63    64    70.00000  124.00000
   69    67    68    35.00000  117.00000
   59    51    52    35.00000  109.50000
   59    51    56    50.00000  109.50000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
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    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    70   0.56750  1.0 1.0
   33    39    48    70  -0.07550 -1.0 2.0
   33    39    48    70   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    70   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    70  -0.95700  1.0 1.0
   41    39    48    70  -0.18200 -1.0 2.0
   41    39    48    70   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    61   0.62750  1.0 1.0
   43    44    46    61  -0.30950 -1.0 2.0
   43    44    46    61   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    70   0.62750  1.0 1.0
   43    44    48    70  -0.30950 -1.0 2.0
   43    44    48    70   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.46850  1.0 1.0
   44    46    50    51   0.08550 -1.0 2.0
   44    46    50    51   0.09800  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    61    56   0.56750  1.0 1.0
   44    46    61    56  -0.07550 -1.0 2.0
   44    46    61    56   0.20000  1.0 3.0
   44    46    61    62   0.15000  1.0 3.0
   44    46    61    63   0.34400  1.0 1.0
   44    46    61    63   0.09450 -1.0 2.0
   44    46    61    63   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    61   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    70   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    70   0.56750  1.0 1.0
   46    44    48    70  -0.07550 -1.0 2.0
   46    44    48    70   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.34800  1.0 3.0
   46    50   -51    56   0.46850  1.0 1.0
   46    50   -51    56   0.08550 -1.0 2.0
   46    50   -51    56   0.09800  1.0 3.0
   46    50    51    59   0.18000  1.0 1.0
   46    50    51    59   0.16450 -1.0 2.0
   46    50    51    59   0.04450  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    55   7.00000 -1.0 2.0
   46    61    63    64   0.46850  1.0 1.0
   46    61    63    64   0.08550 -1.0 2.0
   46    61    63    64   0.09800  1.0 3.0
   46    61    63    67   0.09850  1.0 1.0
   46    61    63    67   0.15250 -1.0 2.0
   46    61    63    67  -0.50650  1.0 3.0
   47    46    50    51   0.34800  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    61    56   0.15000  1.0 3.0
   47    46    61    62   0.15000  1.0 3.0
   47    46    61    63   0.15000  1.0 3.0
   50    46   -61    56   0.34400  1.0 1.0
   50    46   -61    56   0.09450 -1.0 2.0
   50    46   -61    56   0.11100  1.0 3.0
   50    46    61    62   0.15000  1.0 3.0
   50    46    61    63   0.31000  1.0 1.0
   50    46    61    63   0.14700 -1.0 2.0
   50    46    61    63   0.07550  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51   -56    61   0.34400  1.0 1.0
   50    51   -56    61   0.09450 -1.0 2.0
   50    51   -56    61   0.11100  1.0 3.0
   50    51    59    60  -0.07800  1.0 1.0
   50    51    59    60  -0.21500 -1.0 2.0
   50    51    59    60  -0.03150  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -61    46   0.56750  1.0 1.0
   51    56   -61    46  -0.07550 -1.0 2.0
   51    56   -61    46   0.20000  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.34400  1.0 1.0
   51    56    61    63   0.09450 -1.0 2.0
   51    56    61    63   0.11100  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   56    51    59    60  -0.11600  1.0 1.0
   56    51    59    60  -0.09450 -1.0 2.0
   56    51    59    60   0.21250  1.0 3.0
   56    61    63    64   0.46850  1.0 1.0
   56    61    63    64   0.08550 -1.0 2.0
   56    61    63    64   0.09800  1.0 3.0
   56    61    63    67   0.09850  1.0 1.0
   56    61    63    67   0.15250 -1.0 2.0
   56    61    63    67  -0.50650  1.0 3.0
   57    56    61    46   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   58    56    61    46   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   61    46   -50    51   0.46850  1.0 1.0
   61    46   -50    51   0.08550 -1.0 2.0
   61    46   -50    51   0.09800  1.0 3.0
   61    46    50    53   0.09850  1.0 1.0
   61    46    50    53   0.15250 -1.0 2.0
   61    46    50    53  -0.50650  1.0 3.0
   61    63    64    65   0.34800  1.0 3.0
   61    63    64    66   0.34800  1.0 3.0
   61    63    64    70   0.46850  1.0 1.0
   61    63    64    70   0.08550 -1.0 2.0
   61    63    64    70   0.09800  1.0 3.0
   61    63    67    68   7.00000 -1.0 2.0
   61    63    67    69   7.00000 -1.0 2.0
   62    61    63    64   0.34800  1.0 3.0
   62    61    63    67   0.00000  1.0 1.0
   63    64    70    71   0.15000  1.0 3.0
   63    64    70    72   0.15000  1.0 3.0
   63    64    70    48   0.34400  1.0 1.0
   63    64    70    48   0.09450 -1.0 2.0
   63    64    70    48   0.11100  1.0 3.0
   64    63    67    68   7.00000 -1.0 2.0
   64    63    67    69   7.00000 -1.0 2.0
   64    70    48    39   0.56750  1.0 1.0
   64    70    48    39  -0.07550 -1.0 2.0
   64    70    48    39   0.20000  1.0 3.0
   64    70    48    44   0.56750  1.0 1.0
   64    70    48    44  -0.07550 -1.0 2.0
   64    70    48    44   0.20000  1.0 3.0
   64    70    48    49   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    48   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    48   0.15000  1.0 3.0
   71    70    48    39   0.15000  1.0 3.0
   71    70    48    44   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   72    70    48    39   0.15000  1.0 3.0
   72    70    48    44   0.15000  1.0 3.0
   72    70    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    61   0.56750  1.0 1.0
   48    44    46    61  -0.07550 -1.0 2.0
   48    44    46    61   0.20000  1.0 3.0
   67    63    64    65   0.00000  1.0 1.0
   67    63    64    66   0.00000  1.0 1.0
   67    63    64    70   0.09850  1.0 1.0
   67    63    64    70   0.15250 -1.0 2.0
   67    63    64    70  -0.50650  1.0 3.0
   59    51    56    57   0.23400  1.0 3.0
   59    51    56    58   0.23400  1.0 3.0
   59    51    56    61   0.86500  1.0 1.0
   59    51    56    61  -0.17500 -1.0 2.0
   59    51    56    61   0.20800  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    59   0.67800  1.0 1.0
   53    50    51    59   0.47050 -1.0 2.0
   53    50    51    59  -0.62500  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    50    53   1.10000 -1.0 2.0
   61    64    63    67   1.10000 -1.0 2.0
   68    69    67    63   1.10000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
