* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    132    200     396
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02023    89.79940    40.77619
    3     1 S   H    _H1_     3     1.02078    32.89347   167.38651
    4     1 S   H    _H2_     4     1.02153    90.74869   -67.94197
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.82319    98.09781   -78.14731
   34    33 S   HC   _H3_    37     1.09444   107.81984    60.00676
   35    33 S   HC   _H4_    38     1.09484   106.97624   -55.42359
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C13    39     1.53816   112.13320  -176.01503
   40    39 S   HC   _H33    40     1.10005   107.72003    54.70967
   41    39 S   CO4  _C4_    41     1.52670   114.00220   -61.54808
   42    41 S   O    _O33    42     1.22639   122.88034   -62.26254
   43    39 S   CT   _C14    66     1.54316   111.64408   172.12458
   44    43 S   HC   _H34    67     1.09663   109.18084   -51.92145
   45    41 S   OS1  _O20    43     1.36351   111.78485   115.62077
   46    43 S   CT   _C11    68     1.52798   115.14169  -175.40991
   47    46 S   HC   _H29    69     1.09400   111.46598    60.04498
   48    46 S   HC   _H30    70     1.09267   111.81415   -63.26151
   49    43 S   OH   _O19    73     1.43122   108.00115    62.91272
   50    49 S   HO   _H40    74     0.96718   106.22145  -174.40451
   51    45 S   CO1  _C9_    44     1.42713   115.88565  -177.79194
   52    51 S   HC   _H26    45     1.09713   107.43015    39.97055
   53    46 S   OH   _O18    71     1.42566   108.59275   178.04235
   54    53 S   HO   _H39    72     0.96911   106.54220  -179.95154
   55    51 S   CT   _C7_    46     1.52900   107.83093   159.65327
   56    55 S   HC   _H24    47     1.09690   110.68570    51.37206
   57    55 S   CT   _C5_    48     1.52834   111.31281   173.93121
   58    57 S   HC   _H22    49     1.09768   110.92552    74.83433
   59    55 S   OH5  _O16    64     1.42703   109.47498   -66.29577
   60    59 S   HO   _H37    65     0.96968   106.41751   -61.61181
   61    57 S   CT   _C6_    50     1.52876   111.23815   -48.61790
   62    61 S   HC   _H23    51     1.09725   108.92321   -72.59370
   63    57 S   OH5  _O14    62     1.42904   109.15049  -168.32297
   64    63 S   HO   _H35    63     0.96894   106.31094    61.42085
   65    61 S   CT   _C8_    52     1.53011   110.76985    49.59494
   66    65 S   HC   _H25    53     1.09776   110.51832    64.78542
   67    61 S   OH5  _O15    60     1.42612   108.02357   170.64327
   68    67 S   HO   _H36    61     0.96915   106.57145   -59.97853
   69    51 S   OS1  _O13    54     1.42592   109.81271   -79.87588
   70    65 S   CT   _C10    55     1.52575   112.24550  -175.05062
   71    70 S   HC   _H27    56     1.08962   109.95571    59.92505
   72    70 S   HC   _H28    57     1.09023   109.90772   -60.95253
   73    70 S   OH5  _O17    58     1.41615   108.57535   179.51746
   74    73 S   HO   _H38    59     0.97203   107.04600   179.94065
  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  10   3   9   6   8   6   4   3
   2   1  13   6   1   1  12   7  13   7   4   1  12   7   3   1
   9   6   3   1   4   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    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44    46    49  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    51    43    44    46    47    48    53    49    50  
   41    42    45    43    44    46    49  
   42    45    51    52    55    69    43    44    46    49  
   45    51    43  
   44    46    47    48    53    54    49    50    45  
   46    47    48    53    49    50  
   51    52    55    56    57    65    69    59  
   47    48    53    54    49    50  
   48    53    54    49  
   53    54    49  
   50    53  
    0  
   52    55    56    57    58    61    65    66    69    70    63    59    60  
   55    56    57    65    69    59  
   54  
    0  
   56    57    58    61    62    65    69    67    63    64    59    60  
   57    58    61    69    63    59    60  
   58    61    62    65    66    69    70    67    68    63    64    59    60  
   61    62    65    67    63    64    59  
   60    61    63    69  
    0  
   62    65    66    69    70    71    72    73    67    68    63    64  
   65    66    69    70    67    68    63  
   64    65    67  
    0  
   66    69    70    71    72    73    74    67    68  
   69    70    71    72    73    67  
   68    69    70  
    0  
   70    71    72    73  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.280000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.145000   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
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   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   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    51   370.000  1.399
   51    52   360.000  1.097
   51    55   255.000  1.525
   51    69   370.000  1.399
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   355.000  1.421
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   355.000  1.421
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   355.000  1.421
   65    66   340.000  1.090
   65    69   335.000  1.422
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   355.000  1.421
   73    74   580.000  0.967
   67    68   580.000  0.967
   63    64   580.000  0.967
   59    60   580.000  0.967
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   320.000  1.410
   53    54   553.000  0.945
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    43    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    45    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   39    43    49    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    45    51    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    51    52    60.00000  105.75400
   45    51    55    90.00000  109.70700
   45    51    69   110.00000  113.16000
   51    55    56    45.00000  109.54000
   51    55    57    70.00000  111.10000
   51    55    59    90.00000  109.42000
   51    69    65    90.00000  112.10700
   55    51    52    45.00000  111.65000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    63    90.00000  111.45300
   55    59    60    65.00000  108.53500
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    58.35000  112.70000
   57    61    67    90.00000  111.45300
   57    63    64    65.00000  108.53500
   61    57    58    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    69    95.00000  107.88500
   61    65    70    58.35000  112.70000
   61    67    68    65.00000  108.53500
   65    61    62    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    90.00000  111.45300
   69    51    52    60.00000  105.75400
   69    51    55    90.00000  109.70700
   69    65    66    55.00000  108.98800
   70    65    66    37.50000  110.70000
   70    65    69    95.00000  107.88500
   70    73    74    65.00000  108.53500
   72    70    71    33.00000  107.80000
   73    70    71    60.00000  109.39000
   73    70    72    60.00000  109.39000
   67    61    62    60.00000  109.39000
   67    61    65    90.00000  111.45300
   63    57    58    60.00000  109.39000
   63    57    61    90.00000  111.45300
   59    55    56    60.00000  109.39000
   59    55    57    90.00000  111.45300
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    55.00000  108.50000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    46    50.00000  109.50000
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    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   33    39    43    49   0.86500  1.0 1.0
   33    39    43    49  -0.17500 -1.0 2.0
   33    39    43    49   0.20800  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    43   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    43   0.15000  1.0 3.0
   39    41    45    51   1.63150  1.0 1.0
   39    41    45    51   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    53   0.86500  1.0 1.0
   39    43    46    53  -0.17500 -1.0 2.0
   39    43    46    53   0.20800  1.0 3.0
   39    43    49    50  -0.11600  1.0 1.0
   39    43    49    50  -0.09450 -1.0 2.0
   39    43    49    50   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    43    49   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    39    43    49  -0.09450  1.0 1.0
   41    39    43    49  -1.12950 -1.0 2.0
   41    39    43    49   0.54000  1.0 3.0
   41    45    51    52   0.08050  1.0 3.0
   41    45    51    55  -0.25900  1.0 1.0
   41    45    51    55  -0.47000 -1.0 2.0
   41    45    51    55   0.11750  1.0 3.0
   41    45    51    69  -0.24150  1.0 1.0
   41    45    51    69  -0.46200 -1.0 2.0
   41    45    51    69   0.11700  1.0 3.0
   42    41    45    51   3.00000 -1.0 2.0
   45    51    55    56   0.23400  1.0 3.0
   45    51    55    57   0.62750  1.0 1.0
   45    51    55    57  -0.30950 -1.0 2.0
   45    51    55    57   0.27300  1.0 3.0
   45    51    55    59   1.51850  1.0 1.0
   45    51    69    65  -0.70400  1.0 1.0
   45    51    69    65  -0.90350 -1.0 2.0
   51    55    57    58   0.15000  1.0 3.0
   51    55    57    61   0.56750  1.0 1.0
   51    55    57    61  -0.07550 -1.0 2.0
   51    55    57    61   0.20000  1.0 3.0
   51    55    57    63  -0.47750  1.0 1.0
   51    55    59    60   0.29150  1.0 1.0
   51    55    59    60  -0.28350 -1.0 2.0
   51    55    59    60   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    59   0.23400  1.0 3.0
   52    51    69    65   0.37050  1.0 3.0
   55    51    69    65   0.06250  1.0 1.0
   55    51    69    65  -0.01100 -1.0 2.0
   55    51    69    65   0.28050  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57   -61    65   0.56750  1.0 1.0
   55    57   -61    65  -0.07550 -1.0 2.0
   55    57   -61    65   0.20000  1.0 3.0
   55    57    61    67  -0.47750  1.0 1.0
   55    57    63    64   0.29150  1.0 1.0
   55    57    63    64  -0.28350 -1.0 2.0
   55    57    63    64   0.43600  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    57    63   0.23400  1.0 3.0
   56    55    59    60   0.19450  1.0 3.0
   57    55    59    60   0.29150  1.0 1.0
   57    55    59    60  -0.28350 -1.0 2.0
   57    55    59    60   0.43600  1.0 3.0
   57    61    65    66   0.15000  1.0 3.0
   57    61    65    69   0.62750  1.0 1.0
   57    61    65    69  -0.30950 -1.0 2.0
   57    61    65    69   0.27300  1.0 3.0
   57    61    65    70   0.56750  1.0 1.0
   57    61    65    70  -0.07550 -1.0 2.0
   57    61    65    70   0.20000  1.0 3.0
   57    61    67    68   0.29150  1.0 1.0
   57    61    67    68  -0.28350 -1.0 2.0
   57    61    67    68   0.43600  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.15000  1.0 3.0
   58    57    61    67   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   61    57    63    64   0.29150  1.0 1.0
   61    57    63    64  -0.28350 -1.0 2.0
   61    57    63    64   0.43600  1.0 3.0
   61    65   -69    51   0.06250  1.0 1.0
   61    65   -69    51  -0.01100 -1.0 2.0
   61    65   -69    51   0.28050  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    73  -0.47750  1.0 1.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.23400  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68   0.29150  1.0 1.0
   65    61    67    68  -0.28350 -1.0 2.0
   65    61    67    68   0.43600  1.0 3.0
   65    70    73    74   0.29150  1.0 1.0
   65    70    73    74  -0.28350 -1.0 2.0
   65    70    73    74   0.43600  1.0 3.0
   66    65    69    51   0.37050  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.23400  1.0 3.0
   69    51    55    56   0.23400  1.0 3.0
   69    51   -55    57   0.62750  1.0 1.0
   69    51   -55    57  -0.30950 -1.0 2.0
   69    51   -55    57   0.27300  1.0 3.0
   69    51    55    59   1.51850  1.0 1.0
   69    65    70    71   0.23400  1.0 3.0
   69    65    70    72   0.23400  1.0 3.0
   69    65    70    73   1.51850  1.0 1.0
   70    65    69    51   0.06250  1.0 1.0
   70    65    69    51  -0.01100 -1.0 2.0
   70    65    69    51   0.28050  1.0 3.0
   71    70    73    74   0.19450  1.0 3.0
   72    70    73    74   0.19450  1.0 3.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69   1.51850  1.0 1.0
   67    61    65    70  -0.47750  1.0 1.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    65  -0.47750  1.0 1.0
   63    57    61    67   3.77950  1.0 1.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    61  -0.47750  1.0 1.0
   59    55    57    63   3.77950  1.0 1.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   48    46    53    54   0.19450  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    53   3.75450  1.0 1.0
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    45    41    42  10.50000 -1.0 2.0
END
