* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    202     407
    1     0 S   NP   _N1_     1    28.69609    95.74488   -22.75068
    2     1 S   H    _HN1     2     1.02950    77.33540    12.29753
    3     1 S   H    _H1_     3     1.02829    35.58252   158.58390
    4     1 S   H    _H2_     4     1.02787    99.90451   -94.46214
    5     1 S   CT   _CA1     5     1.50106   141.35505   119.24763
    6     5 S   HC   _HA1     6     1.09573   105.20580    82.50295
    7     5 S   CO3  _C1_     7     1.53791   112.41439   -37.74737
    8     7 S   O2Z  _O11     8     1.26370   115.01535   -43.89965
    9     7 S   O2Z  _O12     9     1.26236   114.94146   135.22327
   10     5 S   CT   _CB1    10     1.53078   107.41788  -159.53477
   11    10 S   HC   HB11    11     1.09832   109.38709   -49.85186
   12    10 S   HC   HB12    12     1.09812   110.44934    66.75498
   13    10 S   CT   _CG1    13     1.52986   112.59302  -170.82917
   14    13 S   HC   HG11    14     1.09588   110.61926   -65.06726
   15    13 S   HC   HG12    15     1.09668   109.80695    54.16261
   16    13 S   C    _CD1    16     1.51800   112.22696   174.61580
   17    16 S   O    _OE1    17     1.22732   123.28766     5.91559
   18    16 S   N    _N2_    18     1.38616   111.64347  -174.14690
   19    18 S   H    _HN2    19     1.01596   118.99750     1.71863
   20    18 S   CT1  _CA2    20     1.46255   123.49237   178.25954
   21    20 S   HC   _HA2    21     1.09733   109.34916     3.90294
   22    20 S   C    _C2_    22     1.53590   108.94224  -111.69071
   23    22 S   O    _O2_    23     1.23071   122.23834  -150.37656
   24    20 S   CT   _CB2    32     1.53403   111.25327   125.86617
   25    24 S   HC   HB21    33     1.09408   109.27392    56.01066
   26    24 S   HC   HB22    34     1.09444   110.14525   174.87635
   27    22 S   N    _N3_    24     1.38321   113.82157    37.20450
   28    27 S   H    _HN3    25     1.01569   119.56007    -3.56541
   29    24 S   S    _SG2    35     1.83192   110.98491   -65.38540
   30    27 S   CT   _CA3    26     1.45277   123.21950   177.09950
   31    30 S   HC   HA31    27     1.09550   107.52759   -64.30779
   32    30 S   HC   HA32    28     1.09558   107.97013    52.13227
   33    29 S   CT   _C10    36     1.87810   101.37343   169.84545
   34    30 S   CO3  _C3_    29     1.52959   114.07766   174.12400
   35    34 S   O2Z  _O31    30     1.26376   116.07267    -0.29275
   36    34 S   O2Z  _O32    31     1.26427   114.41351   179.76015
   37    33 S   CM   _C5_    37     1.53149   109.35400   -63.38526
   38    33 S   CT   _C11    54     1.55915   106.44180   174.42174
   39    38 S   HC   _H7_    55     1.09577   109.26711    53.30587
   40    38 S   HC   _H8_    56     1.09886   109.88180   -62.92880
   41    37 S   CMA  _C6_    38     1.35763   122.63126   117.69170
   42    41 S   OM   _O35    39     1.26137   131.39347  -179.16749
   43    37 S   CT   _C4_    50     1.52048   116.76139   -63.08555
   44    43 S   HC   _H3_    51     1.09388   110.74409   -62.53591
   45    43 S   HC   _H4_    52     1.09454   113.00946   177.94605
   46    43 S   HC   _H5_    53     1.09366   111.32274    58.38168
   47    38 S   CM   _C12    57     1.51229   114.29198   177.33839
   48    47 S   HC   _H9_    58     1.08871   115.26194    40.15327
   49    41 S   CM   _C7_    40     1.45881   119.10343     1.20626
   50    49 S   HC   _H6_    41     1.09162   118.06129   179.81443
   51    47 S   CM   _C13    59     1.34811   127.09710  -139.97490
   52    49 S   CM   _C8_    42     1.33813   125.36240     0.94626
   53    51 S   CT   _C14    60     1.50427   124.21292    -3.26699
   54    53 S   HC   _H10    61     1.09368   110.49447   102.76233
   55    53 S   HC   _H11    62     1.09549   110.29374  -137.43126
   56    53 S   HC   _H12    63     1.09297   112.99854   -18.70391
   57    51 S   CT   _C15    64     1.51780   120.11221   179.37317
   58    57 S   HC   _H13    65     1.09790   108.15558   118.85540
   59    57 S   HC   _H14    66     1.09823   110.70451     3.69719
   60    33 S   CO4  _C9_    43     1.54241   105.50670    60.28277
   61    60 S   O    _O33    44     1.23329   122.07146    57.53037
   62    52 S   OS   _O34    45     1.38193   121.29886  -179.17291
   63    57 S   CT   _C16    67     1.53548   114.58369  -119.91635
   64    63 S   HC   _H15    68     1.09285   109.81837   -61.07078
   65    63 S   HC   _H16    69     1.09758   108.05596  -175.77808
   66    62 S   CT   _C21    46     1.42623   110.51912  -103.48671
   67    66 S   HC   _H24    47     1.09397   107.90312   177.58962
   68    66 S   HC   _H25    48     1.09567   110.95406    59.32169
   69    66 S   HC   _H26    49     1.09476   111.48532   -63.91239
   70    63 S   CM   _C17    70     1.50405   112.97996    65.62154
   71    70 S   HC   _H17    71     1.08993   113.99964    59.02754
   72    70 S   CM   _C18    72     1.34683   128.22273  -122.02949
   73    72 S   CT   _C19    73     1.50616   120.29275  -178.85671
   74    73 S   HC   _H18    74     1.09503   110.15541   118.42960
   75    73 S   HC   _H19    75     1.09487   112.45739    -1.58165
   76    73 S   HC   _H20    76     1.09443   110.30300  -121.96627
   77    72 S   CT   _C20    77     1.50222   125.67352     0.98039
   78    77 S   HC   _H21    78     1.09526   109.95999   118.91573
   79    77 S   HC   _H22    79     1.09522   110.04345  -121.88528
   80    77 S   HC   _H23    80     1.09112   113.84924    -1.55859
  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  11   5   4   3
  18   2   1   1  15  12   5   4  10   4   5   2   1   1  11   3
   6   3  11   7   7   3   2   1   8   5   4   3   1   4   7   4
   3   3   2   1   1  10   3   8   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    60    61    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    49    52    60    61    62    43    44    45    46    38    39    40    47    48    51  
   35    36  
   36  
    0  
   41    42    49    50    52    60    61    43    44    45    46    38    39    40    47  
   39    40    47    48    51    53    57    41    43    52    60    61  
   40    47    48    51    60  
   47    48    51    60  
   42    49    50    52    60    62    43    44    45    46  
   49    50    52    43  
   44    45    46    49    60  
   45    46  
   46  
    0  
   48    51    53    54    55    56    57    58    59    63    60  
   51    53    57  
   50    52    60    61    62    66  
   52    60    62  
   53    54    55    56    57    58    59    63    64    65    70  
   60    61    62    66    67    68    69  
   54    55    56    57    58    59    63  
   55    56    57  
   56    57  
   57  
   58    59    63    64    65    70    71    72  
   59    63    64    65    70  
   63    64    65    70  
   61    62    66  
   62  
   66    67    68    69  
   64    65    70    71    72    73    77  
   65    70    71    72  
   70    71    72  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    60   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    49   465.000  1.376
   49    50   340.000  1.080
   49    52   549.000  1.340
   52    60   320.000  1.462
   52    62   440.000  1.360
   60    61   570.000  1.229
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   317.000  1.510
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    53   317.000  1.510
   51    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    60    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    60    52    65.00000  118.62400
   33    60    61    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    70.00000  112.02700
   37    41    42    65.00000  137.10300
   37    41    49    70.00000  123.01800
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    49    50    40.00000  120.50800
   41    49    52    70.00000  117.34000
   49    41    42    65.00000  137.10300
   49    52    60    65.00000  118.96000
   49    52    62    80.00000  120.01400
   52    49    50    35.00000  120.00000
   52    60    61    80.00000  123.72100
   52    62    66    90.00000  111.18400
   60    33    37    70.00000  109.06800
   62    52    60    85.00000  116.28000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    63.00000  111.10000
   38    47    48    35.00000  117.00000
   38    47    51    70.00000  124.00000
   40    38    39    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    40    35.00000  109.50000
   47    51    53    70.00000  124.00000
   47    51    57    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    63    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    51    53    65.00000  117.92700
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    70    70.00000  112.02700
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    70    71    35.00000  117.00000
   63    70    72    70.00000  124.00000
   65    63    64    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    65    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    60    52   0.65300  1.0 1.0
   29    33    60    52  -0.03850 -1.0 2.0
   29    33    60    52   0.33900  1.0 3.0
   29    33    60    61   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    49   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    38    47    48   0.00000  1.0 1.0
   33    38    47    51   0.09850  1.0 1.0
   33    38    47    51   0.15250 -1.0 2.0
   33    38    47    51  -0.50650  1.0 3.0
   37    33    60    52   0.65300  1.0 1.0
   37    33    60    52  -0.03850 -1.0 2.0
   37    33    60    52   0.33900  1.0 3.0
   37    33    60    61   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    47   0.31000  1.0 1.0
   37    33    38    47   0.14700 -1.0 2.0
   37    33    38    47   0.07550  1.0 3.0
   37    41    49    50   7.00000 -1.0 2.0
   37    41   -49    52   7.00000 -1.0 2.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    49    52    60   7.00000 -1.0 2.0
   41    49    52    62   7.00000 -1.0 2.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    52   -60    33  -0.33500  1.0 1.0
   49    52   -60    33   1.06600 -1.0 2.0
   49    52   -60    33  -0.14000  1.0 3.0
   49    52    60    61   1.00000 -1.0 2.0
   49    52    62    66  -2.26850  1.0 1.0
   49    52    62    66   3.39050 -1.0 2.0
   50    49    52    60   7.00000 -1.0 2.0
   50    49    52    62   7.00000 -1.0 2.0
   52    62    66    67   0.08050  1.0 3.0
   52    62    66    68   0.08050  1.0 3.0
   52    62    66    69   0.08050  1.0 3.0
   60    33   -37    41  -0.51250  1.0 1.0
   60    33   -37    41  -0.88800 -1.0 2.0
   60    33   -37    41   0.08850  1.0 3.0
   60    33    37    43   0.17250  1.0 1.0
   60    33    37    43  -0.04100 -1.0 2.0
   60    33    37    43  -0.33850  1.0 3.0
   60    33    38    39  -0.11250  1.0 3.0
   60    33    38    40  -0.11250  1.0 3.0
   60    33    38    47  -0.98800  1.0 1.0
   60    33    38    47   0.48800 -1.0 2.0
   60    33    38    47   0.76800  1.0 3.0
   60    52    62    66   0.15100 -1.0 2.0
   62    52    60    33   0.32450 -1.0 2.0
   62    52    60    33   0.17400  1.0 3.0
   62    52    60    61  -0.11900  1.0 1.0
   62    52    60    61   0.76850 -1.0 2.0
   62    52    60    61   0.14100  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    49   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    60    52   0.65300  1.0 1.0
   38    33    60    52  -0.03850 -1.0 2.0
   38    33    60    52   0.33900  1.0 3.0
   38    33    60    61   0.30150 -1.0 2.0
   38    47    51    53   7.00000 -1.0 2.0
   38    47    51    57   7.00000 -1.0 2.0
   39    38    47    48   0.33100  1.0 3.0
   39    38    47    51   0.00000  1.0 1.0
   40    38    47    48   0.33100  1.0 3.0
   40    38    47    51   0.00000  1.0 1.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    55   0.00000  1.0 1.0
   47    51    53    56   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51    57    63   0.09850  1.0 1.0
   47    51    57    63   0.15250 -1.0 2.0
   47    51    57    63  -0.50650  1.0 3.0
   48    47    51    53   7.00000 -1.0 2.0
   48    47    51    57   7.00000 -1.0 2.0
   51    57    63    64   0.15000  1.0 3.0
   51    57    63    65   0.15000  1.0 3.0
   51    57    63    70   0.31000  1.0 1.0
   51    57    63    70   0.14700 -1.0 2.0
   51    57    63    70   0.07550  1.0 3.0
   53    51    57    58   0.34800  1.0 3.0
   53    51    57    59   0.34800  1.0 3.0
   53    51    57    63   0.46850  1.0 1.0
   53    51    57    63   0.08550 -1.0 2.0
   53    51    57    63   0.09800  1.0 3.0
   57    51    53    54   0.34800  1.0 3.0
   57    51    53    55   0.34800  1.0 3.0
   57    51    53    56   0.34800  1.0 3.0
   57    63    70    71   0.00000  1.0 1.0
   57    63    70    72   0.09850  1.0 1.0
   57    63    70    72   0.15250 -1.0 2.0
   57    63    70    72  -0.50650  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    70   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    70   0.15000  1.0 3.0
   63    70    72    73   7.00000 -1.0 2.0
   63    70    72    77   7.00000 -1.0 2.0
   64    63    70    71   0.33100  1.0 3.0
   64    63    70    72   0.00000  1.0 1.0
   65    63    70    71   0.33100  1.0 3.0
   65    63    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   49    42    41    37   1.10000 -1.0 2.0
   41    50    49    52   1.10000 -1.0 2.0
   60    62    52    49   1.10000 -1.0 2.0
   33    52    60    61  10.50000 -1.0 2.0
   38    48    47    51  15.00000 -1.0 2.0
   53    57    51    47  15.00000 -1.0 2.0
   63    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
