* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    138    216     405
    1     0 S   NP   _N1_     1    28.58793    93.78410   -19.82122
    2     1 S   H    _HN1     2     1.02854    26.65889   157.75033
    3     1 S   H    _H1_     3     1.02808    89.87277   -69.21441
    4     1 S   H    _H2_     4     1.02944    95.16826    39.01686
    5     1 S   CT   _CA1     5     1.50057   137.22306   167.34164
    6     5 S   HC   _HA1     6     1.09599   105.20101    54.79530
    7     5 S   CO3  _C1_     7     1.53635   112.24170   -65.09921
    8     7 S   O2Z  _O11     8     1.26341   115.31048   -54.76964
    9     7 S   O2Z  _O12     9     1.26272   114.93344   124.77833
   10     5 S   CT   _CB1    10     1.53137   107.43557   172.18320
   11    10 S   HC   HB11    11     1.09822   108.96882   -54.01863
   12    10 S   HC   HB12    12     1.09813   110.63648    62.37091
   13    10 S   CT   _CG1    13     1.53061   112.73260  -175.25645
   14    13 S   HC   HG11    14     1.09572   110.37236   -67.02165
   15    13 S   HC   HG12    15     1.09658   110.02316    52.13942
   16    13 S   C    _CD1    16     1.51855   112.32817   172.18955
   17    16 S   O    _OE1    17     1.22727   123.20247    -4.28825
   18    16 S   N    _N2_    18     1.38640   111.76305   176.43784
   19    18 S   H    _HN2    19     1.01598   119.01125    -0.91643
   20    18 S   CT1  _CA2    20     1.46238   123.30021   176.60172
   21    20 S   HC   _HA2    21     1.09752   109.24651   -15.37661
   22    20 S   C    _C2_    22     1.53502   107.94693  -130.70326
   23    22 S   O    _O2_    23     1.22999   122.27823  -144.60141
   24    20 S   CT   _CB2    32     1.53488   112.08584   107.01456
   25    24 S   HC   HB21    33     1.09498   109.72293    54.08510
   26    24 S   HC   HB22    34     1.09414   109.62816   172.77892
   27    22 S   N    _N3_    24     1.38510   113.29324    42.57800
   28    27 S   H    _HN3    25     1.01528   118.96530    -0.45284
   29    24 S   S    _SG2    35     1.83086   111.67849   -67.32051
   30    27 S   CT   _CA3    26     1.45469   123.53921   175.15487
   31    30 S   HC   HA31    27     1.09513   109.36817    21.56582
   32    30 S   HC   HA32    28     1.09497   107.08184   138.61512
   33    29 S   CT   _C18    36     1.86106   101.04910  -178.40676
   34    33 S   Cl   Cl1_    37     1.82452   109.68307  -179.87180
   35    30 S   CO3  _C3_    29     1.52930   113.05082  -101.99009
   36    35 S   O2Z  _O31    30     1.26407   115.39440   -43.77342
   37    35 S   O2Z  _O32    31     1.26350   114.98053   137.12352
   38    33 S   CM   _C13    38     1.56899   110.78384   -62.02783
   39    38 S   CM   _C11    39     1.36699   126.28188   -49.58781
   40    38 S   CM   _C14    68     1.48048   113.47749   126.72123
   41    40 S   HC   _H18    69     1.08365   119.04237   179.75934
   42    39 S   CD   _C10    40     1.48856   122.21452   177.19907
   43    42 S   HC   _H15    41     1.09748   118.81264    27.62711
   44    40 S   CM   _C15    70     1.34087   125.07071    -1.81262
   45    44 S   Cl   Cl3_    71     1.72985   120.31604  -179.30283
   46    42 S   NI   _N6_    42     1.29177   123.16799  -155.37726
   47    44 S   CM   _C16    72     1.43252   122.32918     0.09279
   48    47 S   HC   _H19    73     1.08611   118.55670  -179.62154
   49    46 S   CDX  _C9_    43     1.38397   118.50096     3.57829
   50    33 S   CM   _C17    74     1.53011   108.63573    66.08944
   51    50 S   Cl   Cl2_    75     1.74314   118.85327    54.46168
   52    49 S   NI   _N7_    44     1.31034   121.13180   -17.09524
   53    49 S   NE   _N5_    49     1.39702   118.55038   163.63429
   54    39 S   CG   _C12    45     1.49304   128.87887    -0.23656
   55    53 S   CT   _C6_    50     1.46598   123.39578    -0.79056
   56    55 S   HC   _H9_    51     1.09455   112.36767     0.71710
   57    55 S   HC   _H10    52     1.09698   109.04506  -117.19338
   58    54 S   NIP  _N8_    46     1.27913   126.39695   -42.14220
   59    58 S   H    _H16    47     1.01953   122.39071     0.98854
   60    58 S   H    _H17    48     1.01990   120.32547  -179.04941
   61    55 S   CT   _C5_    53     1.52677   109.79014   121.94877
   62    61 S   HC   _H7_    54     1.09467   110.83981   173.97862
   63    61 S   HC   _H8_    55     1.09590   111.74827   -63.14530
   64    61 S   NP   _N4_    56     1.51506   109.43988    55.67025
   65    64 S   H    _H6_    57     1.02946   107.51519    60.21071
   66    64 S   CT   _C8_    58     1.51578   111.49991   -56.97579
   67    66 S   HC   _H13    59     1.09590   107.37684   -64.24984
   68    66 S   HC   _H14    60     1.09395   107.35970   177.76524
   69    64 S   CT   _C4_    64     1.50215   111.94670   176.93407
   70    69 S   HC   _H3_    65     1.09322   108.67463    62.94977
   71    69 S   HC   _H4_    66     1.09309   108.04350  -176.47997
   72    69 S   HC   _H5_    67     1.09306   108.02335   -57.59858
   73    53 S   CT   _C7_    61     1.46679   122.69053   179.43076
   74    73 S   HC   _H11    62     1.09669   109.00271   117.20364
   75    73 S   HC   _H12    63     1.09361   111.87949    -0.68443
  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   8   5   4   3
  12   6   2   1   1  14  13   8   3   7   3   5   3   6   3   2
  12   1   1   7  14   3  12   6   5   2   1   1  12   5   4  11
   8   9   5   4   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    54    40    41    44    47    48    50    51  
   38    39    40    47    50    51  
   36    37  
   37  
    0  
   39    42    43    46    52    54    58    40    41    44    45    47    50    51  
   42    43    46    49    52    54    58    59    60    40    41    44    50  
   41    44    45    47    48    50    42    54  
   44    45    47  
   43    46    49    52    54    58    53  
   46    49    54  
   45    47    48    50    51  
   47    48    50  
   49    52    54    53    55    73  
   48    50    51  
   50    51  
   52    54    58    53    55    56    57    61    66    73    74    75  
   51  
    0  
   54    58    59    60    53    55    73  
   55    56    57    61    62    63    64    66    67    68    73    74    75    54  
   58    59    60  
   56    57    61    62    63    64    65    66    73    74    75    69  
   57    61    62    63    64    73  
   61    62    63    64    73  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    73    69    70    71    72  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    73    74    75    69    70    71    72  
   66    67    68    73    69    70    71    72  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    69  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75  
   75  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.352800   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   50   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   52   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   53   3.2500   0.1700  -0.220000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.7500   0.1050   0.659000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.496500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   549.000  1.340
   38    40   380.000  1.444
   39    42   320.000  1.464
   39    54   400.000  1.403
   42    43   370.000  1.093
   42    46   500.000  1.261
   46    49   630.000  1.388
   49    52   650.000  1.285
   49    53   445.000  1.380
   52    54   440.000  1.338
   54    58   635.000  1.286
   58    59   490.000  1.015
   58    60   490.000  1.015
   53    55   382.000  1.448
   53    73   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   367.000  1.471
   64    65   434.000  1.010
   64    66   367.000  1.471
   64    69   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    45   300.000  1.725
   44    47   380.000  1.444
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   300.000  1.725
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    50    47    70.00000  124.00000
   33    50    51    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    60.00000  120.31500
   38    39    54    65.00000  121.68800
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  123.01800
   39    42    43    40.00000  113.81000
   39    42    46    70.00000  121.86000
   39    54    52    75.00000  109.42000
   39    54    58    65.00000  126.03000
   42    46    49    80.00000  112.72500
   46    42    43    45.00000  120.55300
   46    49    52    75.00000  130.08800
   46    49    53    75.00000  124.36500
   49    52    54    70.00000  113.10000
   49    53    55    50.00000  119.50000
   49    53    73    50.00000  119.50000
   52    54    58    85.00000  118.94000
   54    39    42    60.00000  120.31500
   54    58    59    45.00000  118.89500
   54    58    60    45.00000  118.89500
   60    58    59    30.00000  117.83200
   53    49    52    75.00000  124.36500
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    61    80.00000  111.61500
   53    73    66    80.00000  111.61500
   53    73    74    35.00000  109.50000
   53    73    75    35.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    80.00000  111.20000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    35.00000  109.50000
   61    64    66    75.00000  113.01200
   61    64    69    75.00000  113.01200
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    73    80.00000  111.20000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   66    64    65    35.00000  109.50000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   68    66    67    33.00000  107.80000
   73    53    55    50.00000  115.00000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   75    73    74    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    75.00000  113.01200
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    70.00000  123.01800
   40    44    45    75.00000  121.50000
   40    44    47    70.00000  123.01800
   44    40    41    35.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    50    70.00000  123.01800
   47    44    45    75.00000  121.50000
   47    50    51    75.00000  121.50000
   50    33    34    75.00000  111.90500
   50    33    38    70.00000  110.12100
   50    47    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    47   0.42700  1.0 1.0
   29    33    50    47  -0.70350 -1.0 2.0
   29    33    50    47  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    39    54   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    44  -0.18600  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    50    47   0.09700  1.0 1.0
   34    33    50    47   0.15600 -1.0 2.0
   34    33    50    47  -0.50800  1.0 3.0
   34    33    50    51   0.09700  1.0 1.0
   34    33    50    51   0.15600 -1.0 2.0
   34    33    50    51  -0.50800  1.0 3.0
   38    33    50    47  -0.28300  1.0 1.0
   38    33    50    47   0.26700 -1.0 2.0
   38    33    50    47  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    42    43   1.36050 -1.0 2.0
   38    39    42    46   1.09650  1.0 1.0
   38    39    42    46   0.48950 -1.0 2.0
   38    39    42    46   0.49400  1.0 3.0
   38    39    54    52   1.09650  1.0 1.0
   38    39    54    52   0.48950 -1.0 2.0
   38    39    54    52   0.49400  1.0 3.0
   38    39    54    58   1.09700  1.0 1.0
   38    39    54    58   0.56350 -1.0 2.0
   38    39    54    58   0.49350  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40   -44    47   7.00000 -1.0 2.0
   39    38    40    41  -0.18600  1.0 3.0
   39    38    40    44   0.28850  1.0 1.0
   39    38    40    44   2.61350 -1.0 2.0
   39    38    40    44   0.78400  1.0 3.0
   39    42    46    49   6.00000 -1.0 2.0
   39    54    58    59   2.00000 -1.0 2.0
   39    54    58    60   2.00000 -1.0 2.0
   42    39    54    52   1.09650  1.0 1.0
   42    39    54    52   0.48950 -1.0 2.0
   42    39    54    52   0.49400  1.0 3.0
   42    39    54    58   1.09700  1.0 1.0
   42    39    54    58   0.56350 -1.0 2.0
   42    39    54    58   0.49350  1.0 3.0
   42    46   -49    52   0.00050  1.0 1.0
   42    46   -49    52   2.00000 -1.0 2.0
   42    46    49    53   0.00050  1.0 1.0
   42    46    49    53   2.00000 -1.0 2.0
   43    42    46    49   4.00000 -1.0 2.0
   46    49    52    54   6.00000 -1.0 2.0
   46    49    53    55  -0.86000  1.0 1.0
   46    49    53    55   0.84650 -1.0 2.0
   46    49    53    73  -0.86000  1.0 1.0
   46    49    53    73   0.84650 -1.0 2.0
   49    52   -54    39   6.00000 -1.0 2.0
   49    52    54    58   6.00000 -1.0 2.0
   49    53    55    56   0.00000  1.0 1.0
   49    53    55    57   0.00000  1.0 1.0
   49    53    55    61   0.38950  1.0 1.0
   49    53    55    61  -0.47050 -1.0 2.0
   49    53    55    61   0.83150  1.0 3.0
   49    53    73    66   0.38950  1.0 1.0
   49    53    73    66  -0.47050 -1.0 2.0
   49    53    73    66   0.83150  1.0 3.0
   49    53    73    74   0.00000  1.0 1.0
   49    53    73    75   0.00000  1.0 1.0
   52    49    53    55  -0.86000  1.0 1.0
   52    49    53    55   0.84650 -1.0 2.0
   52    49    53    73  -0.86000  1.0 1.0
   52    49    53    73   0.84650 -1.0 2.0
   52    54    58    59   2.00000 -1.0 2.0
   52    54    58    60   2.00000 -1.0 2.0
   54    39    42    43   1.36050 -1.0 2.0
   54    39   -42    46   1.09650  1.0 1.0
   54    39   -42    46   0.48950 -1.0 2.0
   54    39   -42    46   0.49400  1.0 3.0
   53    49    52    54   6.00000 -1.0 2.0
   53    55    61    62   0.22950  1.0 3.0
   53    55    61    63   0.22950  1.0 3.0
   53    55    61    64   2.45700  1.0 1.0
   53    55    61    64   1.17300 -1.0 2.0
   55    53    73    66   0.00000  1.0 1.0
   55    53    73    74   0.00000  1.0 1.0
   55    53    73    75   0.00000  1.0 1.0
   55    61    64    65   0.17350  1.0 3.0
   55    61   -64    66   0.47100  1.0 1.0
   55    61    64    69   0.47100  1.0 1.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.19200  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.19200  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    66    73   0.47100  1.0 1.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.15000  1.0 3.0
   61    64    69    72   0.15000  1.0 3.0
   62    61    64    65   0.13050  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    69   0.15000  1.0 3.0
   63    61    64    65   0.13050  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    69   0.15000  1.0 3.0
   64    66   -73    53   2.45700  1.0 1.0
   64    66   -73    53   1.17300 -1.0 2.0
   64    66    73    74   0.19200  1.0 3.0
   64    66    73    75   0.19200  1.0 3.0
   65    64    66    67   0.13050  1.0 3.0
   65    64    66    68   0.13050  1.0 3.0
   65    64    66    73   0.17350  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    72   0.13050  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   67    66    73    53   0.22950  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   68    66    73    53   0.22950  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   73    53    55    56   0.00000  1.0 1.0
   73    53    55    57   0.00000  1.0 1.0
   73    53   -55    61   0.00000  1.0 1.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    73   0.47100  1.0 1.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    54   7.00000 -1.0 2.0
   40    44    47    48  -0.18600  1.0 3.0
   40    44    47    50   0.28850  1.0 1.0
   40    44    47    50   2.61350 -1.0 2.0
   40    44    47    50   0.78400  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47   -50    33   7.00000 -1.0 2.0
   44    47    50    51   7.00000 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    50  -0.18600  1.0 3.0
   48    47    50    33   7.00000 -1.0 2.0
   48    47    50    51   7.00000 -1.0 2.0
   50    33    38    39  -0.28300  1.0 1.0
   50    33    38    39   0.26700 -1.0 2.0
   50    33    38    39  -0.63300  1.0 3.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   42    54    39    38   1.10000 -1.0 2.0
   39    43    42    46  10.50000 -1.0 2.0
   46    53    49    52  10.50000 -1.0 2.0
   52    39    54    58  10.50000 -1.0 2.0
   59    60    58    54   1.00000 -1.0 2.0
   73    49    53    55   1.00000 -1.0 2.0
   38    41    40    44   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   44    48    47    50   1.10000 -1.0 2.0
   33    51    50    47   1.10000 -1.0 2.0
END
