* LIGAND DATABASE FILE (OPLS2005)
*
001      78    77    141    200     410
    1     0 S   NP   _N1_     1    28.73726    94.39357   -22.45987
    2     1 S   H    _HN1     2     1.02960    90.25358    10.92016
    3     1 S   H    _H1_     3     1.02838    27.36011   139.98340
    4     1 S   H    _H2_     4     1.02778    93.91218   -97.47245
    5     1 S   CT   _CA1     5     1.50146   137.94846   132.56849
    6     5 S   HC   _HA1     6     1.09562   105.27025    62.99324
    7     5 S   CO3  _C1_     7     1.53875   112.16583   -57.37602
    8     7 S   O2Z  _O11     8     1.26377   114.97862   -45.58519
    9     7 S   O2Z  _O12     9     1.26212   114.93824   133.35111
   10     5 S   CT   _CB1    10     1.53075   107.40989  -178.93339
   11    10 S   HC   HB11    11     1.09826   109.66342   -48.33656
   12    10 S   HC   HB12    12     1.09825   110.25461    68.27305
   13    10 S   CT   _CG1    13     1.53030   112.63704  -169.32075
   14    13 S   HC   HG11    14     1.09603   110.44779   -58.82264
   15    13 S   HC   HG12    15     1.09625   110.08039    60.45541
   16    13 S   C    _CD1    16     1.51814   112.10063  -178.96505
   17    16 S   O    _OE1    17     1.22744   123.20041    -3.81752
   18    16 S   N    _N2_    18     1.38606   111.71435   175.76899
   19    18 S   H    _HN2    19     1.01581   119.18384     3.08572
   20    18 S   CT1  _CA2    20     1.46321   123.30060  -174.09681
   21    20 S   HC   _HA2    21     1.09729   109.30248    -3.89410
   22    20 S   C    _C2_    22     1.53376   109.26354  -119.97638
   23    22 S   O    _O2_    23     1.23052   122.05164  -149.15191
   24    20 S   CT   _CB2    32     1.53595   110.95765   117.49254
   25    24 S   HC   HB21    33     1.09449   109.09625    61.62867
   26    24 S   HC   HB22    34     1.09506   110.52229   179.87180
   27    22 S   N    _N3_    24     1.38454   113.60392    38.38757
   28    27 S   H    _HN3    25     1.01509   118.86028    -1.00112
   29    24 S   S    _SG2    35     1.83375   110.75676   -60.59556
   30    27 S   CT   _CA3    26     1.45449   123.59555   175.26617
   31    30 S   HC   HA31    27     1.09514   109.42149    20.92177
   32    30 S   HC   HA32    28     1.09503   107.08261   137.91987
   33    29 S   CT   _C7_    36     1.86886   102.16066   152.85403
   34    33 S   OM   _O33    37     1.31909   109.64876   -59.71127
   35    30 S   CO3  _C3_    29     1.52899   112.96710  -102.69789
   36    35 S   O2Z  _O31    30     1.26413   115.33401   -47.04533
   37    35 S   O2Z  _O32    31     1.26347   115.04091   133.88340
   38    33 S   CT   _C5_    38     1.57903   111.26084    61.18322
   39    38 S   HC   _H7_    39     1.10120   108.36308   -64.62260
   40    33 S   S    _S1_    48     1.87806   106.89611  -178.14006
   41    38 S   CT   _C4_    40     1.54217   114.58185    53.48329
   42    41 S   HC   _H4_    41     1.09423   112.00233    61.55218
   43    41 S   HC   _H5_    42     1.09627   110.29745  -179.03653
   44    41 S   HC   _H6_    43     1.09327   112.15812   -60.56700
   45    38 S   CT   _C6_    44     1.54666   114.36033   178.21031
   46    45 S   HC   _H8_    45     1.09440   112.06872   -66.92225
   47    45 S   HC   _H9_    46     1.09442   111.90161    55.09639
   48    45 S   HC   _H10    47     1.09624   110.17228   173.78839
   49    40 S   CT   _C8_    49     1.83415   102.09340    66.54333
   50    49 S   HC   _H11    50     1.09339   110.02781   -56.49643
   51    49 S   HC   _H12    51     1.09296   108.77785    62.91856
   52    49 S   CT   _C9_    52     1.53168   109.68377  -176.74923
   53    52 S   HC   _H13    53     1.09772   109.75049   -61.19279
   54    52 S   HC   _H14    54     1.09904   108.65346    55.20757
   55    52 S   CT   _C10    55     1.54029   112.38408   175.48403
   56    55 S   HC   _H3_    56     1.09675   108.32152   -61.84477
   57    55 S   CT   _C11    57     1.54037   115.40642    58.78627
   58    57 S   HC   _H15    58     1.09847   109.18545   177.74606
   59    57 S   HC   _H16    59     1.09761   108.54827   -68.02290
   60    55 S   SH   _S2_    77     1.83409   108.90278  -176.36277
   61    60 S   HS   _H27    78     1.34110    96.57647    61.69125
   62    57 S   CT   _C12    60     1.53399   115.66928    54.10374
   63    62 S   HC   _H17    61     1.09544   110.41835    57.64372
   64    62 S   HC   _H18    62     1.09555   110.04895   -60.55379
   65    62 S   CT   _C13    63     1.53107   111.09848   178.77060
   66    65 S   HC   _H19    64     1.09710   109.66534   -59.20870
   67    65 S   HC   _H20    65     1.09716   109.74080    57.77271
   68    65 S   CT   _C14    66     1.52697   111.24153   179.25822
   69    68 S   HC   _H21    67     1.09662   109.96904    58.97650
   70    68 S   HC   _H22    68     1.09663   109.92624   -59.69372
   71    68 S   C    _C15    69     1.51817   112.58293   179.57158
   72    71 S   O    _O34    70     1.22753   123.42001    -1.58288
   73    71 S   N    _N4_    71     1.38626   111.73430   178.69209
   74    73 S   H    _H23    72     1.01516   119.40565     1.94138
   75    73 S   CT   _C16    73     1.44365   122.48489   179.48833
   76    75 S   HC   _H24    74     1.09288   108.34998   -89.30921
   77    75 S   HC   _H25    75     1.09242   108.51273   151.65198
   78    75 S   HC   _H26    76     1.09297   110.61648    30.85235
  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
  16   6   2   1   1  11   9   9   7   3   2   1   3   2   1   1
   9   5   4  10   5   4  10   6  11   6   5   2   1   9   5   4
   8   5   4   7   4   3   7   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    45    40    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    44    45    46    47    48    40    49    50    51    52  
   38    39    41    45    40    49  
   36    37  
   37  
    0  
   39    41    42    43    44    45    46    47    48    40    49  
   41    42    43    44    45    46    47    48    40  
   49    50    51    52    53    54    55    41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    57    60  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    62    60    61  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    62    63    64    65    60    61  
   57    58    59    62    60    61  
   58    59    62    63    64    65    66    67    68    60    61  
   59    62    63    64    65    60  
   62    63    64    65    60  
   61    62  
    0  
   63    64    65    66    67    68    69    70    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.120000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   61   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   75   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   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   570.000  1.307
   33    38   268.000  1.529
   33    40   222.000  1.810
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    45   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   40    49   222.000  1.810
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.522
   71    72   570.000  1.229
   71    73   490.000  1.335
   73    74   434.000  1.010
   73    75   337.000  1.449
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   60    61   274.000  1.336
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  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    45    58.35000  112.70000
   33    40    49    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    37.50000  110.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    45    48    37.50000  110.70000
   41    38    39    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    38    39    37.50000  110.70000
   45    38    41    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  111.63000
   40    49    50    35.00000  109.50000
   40    49    51    35.00000  109.50000
   40    49    52    75.00000  111.63000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    60    50.00000  108.60000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    62    58.35000  112.70000
   55    60    61    44.00000   96.00000
   57    55    56    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    63.00000  111.10000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    80.00000  120.40000
   68    71    73    70.00000  116.60000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  119.80000
   71    73    75    50.00000  121.90000
   73    71    72    80.00000  122.90000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    38.00000  118.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    50.00000  108.60000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    40    49   0.08500  1.0 1.0
   29    33    40    49  -0.53150 -1.0 2.0
   29    33    40    49   0.48050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.15000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    45    48   0.15000  1.0 3.0
   33    40    49    50   0.32350  1.0 3.0
   33    40    49    51   0.32350  1.0 3.0
   33    40    49    52   0.01700  1.0 1.0
   33    40    49    52  -0.23550 -1.0 2.0
   33    40    49    52   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    45   0.62750  1.0 1.0
   34    33    38    45  -0.30950 -1.0 2.0
   34    33    38    45   0.27300  1.0 3.0
   34    33    40    49   0.13850  1.0 1.0
   34    33    40    49  -1.34450 -1.0 2.0
   34    33    40    49   0.57400  1.0 3.0
   38    33    40    49   0.01700  1.0 1.0
   38    33    40    49  -0.23550 -1.0 2.0
   38    33    40    49   0.21350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    47   0.15000  1.0 3.0
   39    38    45    48   0.15000  1.0 3.0
   41    38    45    46   0.15000  1.0 3.0
   41    38    45    47   0.15000  1.0 3.0
   41    38    45    48   0.15000  1.0 3.0
   45    38    41    42   0.15000  1.0 3.0
   45    38    41    43   0.15000  1.0 3.0
   45    38    41    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.44750  1.0 1.0
   40    33    38    41  -0.17800 -1.0 2.0
   40    33    38    41   0.20200  1.0 3.0
   40    33    38    45   0.44750  1.0 1.0
   40    33    38    45  -0.17800 -1.0 2.0
   40    33    38    45   0.20200  1.0 3.0
   40    49    52    53   0.15000  1.0 3.0
   40    49    52    54   0.15000  1.0 3.0
   40    49    52    55   0.44750  1.0 1.0
   40    49    52    55  -0.17800 -1.0 2.0
   40    49    52    55   0.20200  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52    55    60   0.43650  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    62   0.56750  1.0 1.0
   52    55    57    62  -0.07550 -1.0 2.0
   52    55    57    62   0.20000  1.0 3.0
   52    55    60    61  -0.37950  1.0 1.0
   52    55    60    61  -0.15600 -1.0 2.0
   52    55    60    61   0.18750  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    60   0.15000  1.0 3.0
   55    57    62    63   0.15000  1.0 3.0
   55    57    62    64   0.15000  1.0 3.0
   55    57    62    65   0.56750  1.0 1.0
   55    57    62    65  -0.07550 -1.0 2.0
   55    57    62    65   0.20000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    60    61   0.22550  1.0 3.0
   57    55    60    61  -0.37950  1.0 1.0
   57    55    60    61  -0.15600 -1.0 2.0
   57    55    60    61   0.18750  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    67   0.15000  1.0 3.0
   57    62    65    68   0.56750  1.0 1.0
   57    62    65    68  -0.07550 -1.0 2.0
   57    62    65    68   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65    68    71  -0.95700  1.0 1.0
   62    65    68    71  -0.18200 -1.0 2.0
   62    65    68    71   0.29450  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    71    72   0.30150 -1.0 2.0
   65    68    71    73   1.39750  1.0 1.0
   65    68    71    73  -0.07950 -1.0 2.0
   65    68    71    73  -0.18750  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71  -0.11250  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71  -0.11250  1.0 3.0
   68    71    73    74   2.45000 -1.0 2.0
   68    71    73    75   1.49850  1.0 1.0
   68    71    73    75   1.53950 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.00000  1.0 1.0
   71    73    75    78   0.00000  1.0 1.0
   72    71    73    74   2.45000 -1.0 2.0
   72    71    73    75   3.04450 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   60    55    57    58   0.15000  1.0 3.0
   60    55    57    59   0.15000  1.0 3.0
   60    55    57    62   0.43650  1.0 1.0
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
   68    73    71    72  10.50000 -1.0 2.0
   74    71    73    75   1.00000 -1.0 2.0
END
