* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    176     338
    1     0 S   NP   _N1_     1    29.75162    93.56598   -17.85206
    2     1 S   H    _HN1     2     1.02887    22.72317   132.93699
    3     1 S   H    _H1_     3     1.02712    88.12628   -18.51158
    4     1 S   H    _H2_     4     1.03543   124.66177    91.29677
    5     1 S   CT   _CA1     5     1.50143   110.07601  -131.74369
    6     5 S   HC   _HA1     6     1.09695   104.49911    41.51359
    7     5 S   CO3  _C1_     7     1.54443   111.30302   -74.25781
    8     7 S   O2Z  _O11     8     1.26082   116.72136  -119.31211
    9     7 S   O2Z  _O12     9     1.26597   113.76748    60.29173
   10     5 S   CT   _CB1    10     1.53126   107.34258   157.62650
   11    10 S   HC   HB11    11     1.09836   110.21950   -41.41139
   12    10 S   HC   HB12    12     1.09758   110.29043    75.16761
   13    10 S   CT   _CG1    13     1.53020   111.87301  -161.75657
   14    13 S   HC   HG11    14     1.09513   111.74969   -56.34633
   15    13 S   HC   HG12    15     1.09634   110.34829    62.39188
   16    13 S   C    _CD1    16     1.51296   110.80344  -177.84969
   17    16 S   O    _OE1    17     1.22813   121.69494   -98.40408
   18    16 S   N    _N2_    18     1.38421   112.80652    81.07721
   19    18 S   H    _HN2    19     1.01639   118.98998     1.30746
   20    18 S   CT1  _CA2    20     1.46133   123.30670   179.19061
   21    20 S   HC   _HA2    21     1.09742   109.35792    -3.56337
   22    20 S   C    _C2_    22     1.53458   108.39705  -119.13033
   23    22 S   O    _O2_    23     1.23039   122.21783  -143.97899
   24    20 S   CT   _CB2    32     1.53322   111.81956   118.38908
   25    24 S   HC   HB21    33     1.09602   110.22610    57.25772
   26    24 S   HC   HB22    34     1.09506   109.93702   176.25456
   27    22 S   N    _N3_    24     1.38504   113.52189    43.32614
   28    27 S   H    _HN3    25     1.01497   119.03855    -0.46436
   29    24 S   S    _SG2    35     1.82657   111.87289   -63.45957
   30    27 S   CT   _CA3    26     1.45437   123.23083   175.32019
   31    30 S   HC   HA31    27     1.09539   108.98711    29.12919
   32    30 S   HC   HA32    28     1.09491   107.17915   146.07005
   33    29 S   CT   _C10    36     1.84165    99.33579  -175.56518
   34    33 S   HC   _H3_    37     1.09661   107.87195   -25.84900
   35    30 S   CO3  _C3_    29     1.52939   113.30811   -94.18855
   36    35 S   O2Z  _O31    30     1.26388   115.49041   -43.38886
   37    35 S   O2Z  _O32    31     1.26374   114.93988   137.57871
   38    33 S   CM   _C5_    38     1.50816   108.20664    90.40891
   39    38 S   HC   _H20    39     1.08745   118.21909   -52.27933
   40    38 S   CM   _C4_    40     1.34087   123.53002   127.89700
   41    40 S   HC   _H19    41     1.08616   119.39962  -178.34330
   42    40 S   CT   _C9_    42     1.49898   122.96168     1.47618
   43    42 S   HC   _H21    43     1.09618   109.26417   143.58105
   44    42 S   CT   _C12    44     1.54059   111.05963    21.83233
   45    44 S   HC   _H24    45     1.10111   108.44232    66.68823
   46    42 S   OH   _O17    62     1.42697   105.90603  -100.41782
   47    46 S   HO   _H29    63     0.97261   108.22785   173.61300
   48    33 S   CT   _C11    46     1.55267   109.45617  -144.72227
   49    48 S   HC   _H23    47     1.09839   110.82775   -36.79904
   50    44 S   CO3  _C7_    59     1.53882   106.82182  -178.88829
   51    50 S   O2Z  _O33    60     1.26415   114.66331   -84.93374
   52    50 S   O2Z  _O15    61     1.26216   115.92081    93.80067
   53    48 S   CO4  _C6_    48     1.53321   109.17659    82.32362
   54    53 S   O    _O14    49     1.23200   121.19207    68.62279
   55    53 S   CT   _C13    50     1.52113   116.67401  -109.59915
   56    55 S   HC   _H25    51     1.09461   108.03959    65.72997
   57    55 S   HC   _H26    52     1.09549   108.26947   -51.30628
   58    55 S   CT   _C14    53     1.52317   112.49530  -172.50600
   59    58 S   HC   _H27    54     1.09724   109.79797   -59.38310
   60    58 S   HC   _H28    55     1.09741   109.48600    57.73170
   61    58 S   CO3  _C8_    56     1.52939   114.61357   179.58883
   62    61 S   O2Z  _O13    57     1.26250   116.55961    11.50121
   63    61 S   O2Z  _O16    58     1.26431   114.37686  -169.10968
  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   9   5   4   3
  14   7   2   1   1  10   4   9   4  11   6  11   7   3   1  10
   4   3   1   1   8   4   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    48    49    53    54    55    50  
   38    39    40    44    48    49    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    49    53    46  
   40    41    42    48  
   41    42    43    44    45    48    50    46    47  
   42    43    44    46  
   43    44    45    48    49    53    50    51    52    46    47  
   44    45    48    50    46    47  
   45    48    49    53    54    55    50    51    52    46    47  
   48    49    53    50    51    52    46  
   47    48    50  
    0  
   49    53    54    55    56    57    58    50    51    52  
   53    54    55    50  
   51    52    53  
   52  
    0  
   54    55    56    57    58    59    60    61  
   55    56    57    58  
   56    57    58    59    60    61    62    63  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   317.000  1.522
   48    49   340.000  1.090
   48    53   317.000  1.522
   53    54   570.000  1.229
   53    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   46    47   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    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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    44    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    53    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    44    50    70.00000  109.69300
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    53    63.00000  111.10000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    53    54    80.00000  120.40000
   48    53    55    70.00000  116.00000
   53    48    49    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    63.00000  111.10000
   55    53    54    80.00000  120.40000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    70.00000  109.69300
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    70.00000  117.00000
   58    61    63    70.00000  117.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   63    61    62    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   46    42    43    35.00000  109.50000
   46    42    44    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    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   0.32350  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.00000  1.0 1.0
   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    48    44   0.44750  1.0 1.0
   29    33    48    44  -0.17800 -1.0 2.0
   29    33    48    44   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    53    54   0.30150 -1.0 2.0
   33    48    53    55   0.60050  1.0 1.0
   33    48    53    55   0.05600 -1.0 2.0
   33    48    53    55   0.26150  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    53  -0.11250  1.0 3.0
   38    33    48    44   0.34400  1.0 1.0
   38    33    48    44   0.09450 -1.0 2.0
   38    33    48    44   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    53  -0.98800  1.0 1.0
   38    33    48    53   0.48800 -1.0 2.0
   38    33    48    53   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.67800  1.0 1.0
   38    40    42    46   0.47050 -1.0 2.0
   38    40    42    46  -0.62500  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    48   0.34400  1.0 1.0
   40    42    44    48   0.09450 -1.0 2.0
   40    42    44    48   0.11100  1.0 3.0
   40    42    44    50  -0.98800  1.0 1.0
   40    42    44    50   0.48800 -1.0 2.0
   40    42    44    50   0.76800  1.0 3.0
   40    42    46    47  -0.07800  1.0 1.0
   40    42    46    47  -0.21500 -1.0 2.0
   40    42    46    47  -0.03150  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -48    33   0.56750  1.0 1.0
   42    44   -48    33  -0.07550 -1.0 2.0
   42    44   -48    33   0.20000  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    53  -0.95700  1.0 1.0
   42    44    48    53  -0.18200 -1.0 2.0
   42    44    48    53   0.29450  1.0 3.0
   42    44    50    51   0.41150 -1.0 2.0
   42    44    50    52   0.41150 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    50  -0.11250  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    53    54   0.30150 -1.0 2.0
   44    48    53    55   0.60050  1.0 1.0
   44    48    53    55   0.05600 -1.0 2.0
   44    48    53    55   0.26150  1.0 3.0
   45    44    48    33   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53  -0.11250  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    44    50    51   0.41150 -1.0 2.0
   48    44    50    52   0.41150 -1.0 2.0
   48    53    55    56   0.00000  1.0 1.0
   48    53    55    57   0.00000  1.0 1.0
   48    53    55    58   0.60050  1.0 1.0
   48    53    55    58   0.05600 -1.0 2.0
   48    53    55    58   0.26150  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    55   0.00000  1.0 1.0
   53    55    58    59  -0.11250  1.0 3.0
   53    55    58    60  -0.11250  1.0 3.0
   53    55    58    61  -0.30950  1.0 1.0
   53    55    58    61   1.11150 -1.0 2.0
   53    55    58    61   0.40350  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    58   0.30150 -1.0 2.0
   55    58    61    62   0.41150 -1.0 2.0
   55    58    61    63   0.41150 -1.0 2.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61  -0.11250  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61  -0.11250  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   50    44    48    33  -1.63150  1.0 1.0
   50    44    48    33  -0.43550 -1.0 2.0
   50    44    48    33   0.24500  1.0 3.0
   50    44    48    49  -0.11250  1.0 3.0
   50    44    48    53  -0.30950  1.0 1.0
   50    44    48    53   1.11150 -1.0 2.0
   50    44    48    53   0.40350  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   0.86500  1.0 1.0
   46    42    44    48  -0.17500 -1.0 2.0
   46    42    44    48   0.20800  1.0 3.0
   46    42    44    50  -5.33000  1.0 1.0
   46    42    44    50  -0.54250 -1.0 2.0
   46    42    44    50  -0.07300  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   48    55    53    54  10.50000 -1.0 2.0
   62    58    61    63  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
