* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    159    243     450
    1     0 S   NP   _N1_     1    29.49615    92.51402   -26.50081
    2     1 S   H    _HN1     2     1.02795   124.06904  -104.92465
    3     1 S   H    _H1_     3     1.02946    90.86317     8.10995
    4     1 S   H    _H2_     4     1.02826    19.15975  -140.26210
    5     1 S   CT   _CA1     5     1.50146   108.60621   119.98755
    6     5 S   HC   _HA1     6     1.09575   105.12947    79.46550
    7     5 S   CO3  _C1_     7     1.53759   112.54409   -40.67428
    8     7 S   O2Z  _O11     8     1.26378   114.99667   -40.20690
    9     7 S   O2Z  _O12     9     1.26240   114.94831   138.77906
   10     5 S   CT   _CB1    10     1.53060   107.39949  -162.56619
   11    10 S   HC   HB11    11     1.09843   109.26183   -49.24283
   12    10 S   HC   HB12    12     1.09810   110.48273    67.33419
   13    10 S   CT   _CG1    13     1.53035   112.69330  -170.19071
   14    13 S   HC   HG11    14     1.09563   110.75226   -68.91463
   15    13 S   HC   HG12    15     1.09671   109.66977    50.33886
   16    13 S   C    _CD1    16     1.51818   111.93269   170.80264
   17    16 S   O    _OE1    17     1.22758   123.15750    14.23112
   18    16 S   N    _N2_    18     1.38656   111.87553  -165.66190
   19    18 S   H    _HN2    19     1.01574   118.95992     0.80794
   20    18 S   CT1  _CA2    20     1.46232   123.35704   175.78787
   21    20 S   HC   _HA2    21     1.09745   109.32380     8.41604
   22    20 S   C    _C2_    22     1.53721   108.69998  -107.04384
   23    22 S   O    _O2_    23     1.23079   122.24700  -147.82959
   24    20 S   CT   _CB2    32     1.53537   111.72174   130.53082
   25    24 S   HC   HB21    33     1.09438   109.44312    56.06934
   26    24 S   HC   HB22    34     1.09263   109.38153   174.94038
   27    22 S   N    _N3_    24     1.38309   113.87094    39.59880
   28    27 S   H    _HN3    25     1.01536   119.64893    -2.89171
   29    24 S   S    _SG2    35     1.82820   111.06128   -64.77601
   30    27 S   CT   _CA3    26     1.45285   123.31370   177.35166
   31    30 S   HC   HA31    27     1.09547   107.48326   -65.69773
   32    30 S   HC   HA32    28     1.09555   108.04150    50.77874
   33    29 S   CT   _C9_    36     1.88507   102.75498  -174.57364
   34    30 S   CO3  _C3_    29     1.52990   114.01063   172.79704
   35    34 S   O2Z  _O31    30     1.26390   116.07354    -0.67260
   36    34 S   O2Z  _O32    31     1.26423   114.42152   179.38706
   37    33 S   CT   _C10    37     1.56352   110.69971    61.31910
   38    37 S   HC   _H11    38     1.09627   110.00430   177.25648
   39    37 S   HC   _H12    39     1.09456   111.02605   -66.22429
   40    33 S   CT   _C8_    73     1.55854   107.50160   -57.90870
   41    40 S   HC   _H9_    74     1.09506   109.97052    69.04907
   42    40 S   HC   _H10    75     1.09481   110.98900   -49.03593
   43    37 S   S    _S2_    40     1.83077   116.20584    56.72753
   44    40 S   S    _S1_    76     1.83155   115.76396  -171.35182
   45    43 S   C4T  _C11    41     1.82874    97.13661    55.66770
   46    45 S   HC   _H3_    42     1.09429   114.98453    83.33041
   47    44 S   CDX  _C5_    77     1.77199    98.16147   176.19121
   48    45 S   C4T  _C12    43     1.55560   112.26334  -140.38317
   49    48 S   HC   _H4_    44     1.09591   116.87504    -7.79367
   50    45 S   N4   _N7_    47     1.45695   110.27975   -45.33869
   51    47 S   NI   _N5_    78     1.29568   114.90470    80.71462
   52    48 S   C4   _C13    45     1.54910    85.11827   105.12866
   53    52 S   O    _O35    46     1.20913   135.83625  -173.41194
   54    33 S   CT1  _C14    48     1.56774   108.65568  -179.95577
   55    54 S   HC   _H5_    49     1.10020   106.16058  -176.94264
   56    48 S   N    _N8_    53     1.47841   114.71148  -140.75513
   57    56 S   H    _H13    54     1.01763   119.62989  -106.64948
   58    51 S   C    _C6_    79     1.37830   115.58309   179.93744
   59    58 S   O    _O33    80     1.22688   120.89906  -179.46845
   60    54 S   CO3  _C15    50     1.54985   121.83595    66.90363
   61    60 S   O2Z  _O37    51     1.26029   116.82821   -11.91041
   62    60 S   O2Z  _O36    52     1.26700   114.35849   166.93186
   63    56 S   C    _C16    55     1.37863   122.10875    73.90441
   64    63 S   O    _O38    56     1.22057   128.22171     0.24309
   65    58 S   CHZ  _C7_    81     1.54574   119.32648     0.51586
   66    65 S   OM   _O34    82     1.24226   109.17075   179.27692
   67    63 S   CD   _C17    57     1.50883   112.94562  -179.00417
   68    65 S   NI   _N6_    83     1.29771   120.02445    -0.69154
   69    67 S   C5B  _C19    58     1.46151   119.54492    97.96741
   70    67 S   NI   _N9_    67     1.29916   113.43211   -81.90490
   71    47 S   NE   _N4_    84     1.38615   119.58378   -99.49874
   72    69 S   C5A  _C20    59     1.38454   123.79456    -1.65138
   73    72 S   HA   _H17    60     1.08103   129.03042     0.06256
   74    70 S   OS   _O39    68     1.39658   113.67128   179.62466
   75    71 S   CT   _C4_    85     1.45764   124.31943     0.89853
   76    75 S   HC   _H6_    86     1.09434   110.58444    62.77142
   77    75 S   HC   _H7_    87     1.09483   110.79255   -58.62456
   78    75 S   HC   _H8_    88     1.09639   111.56745  -177.88483
   79    72 S   SA   _S3_    61     1.71084   110.67261  -179.93147
   80    74 S   CT   _C18    69     1.41929   108.26871   179.80021
   81    80 S   HC   _H14    70     1.09317   108.47128   179.97202
   82    80 S   HC   _H15    71     1.09445   110.35104    60.97208
   83    80 S   HC   _H16    72     1.09445   110.35287   -61.00079
   84    79 S   CRA  _C21    62     1.72025    89.78693    -0.03426
   85    69 S   N5B  _N10    63     1.38844   122.69544   178.39709
   86    84 S   NE   _N11    64     1.34630   120.44753  -179.95577
   87    86 S   H    _H18    65     1.01412   121.42594   179.95577
   88    86 S   H    _H19    66     1.01392   122.02663     0.03426
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6  10  10
   6   8   7   7   2   4   3   6   3   5   3   2   1   1   7   3
   4   2   9   5   8   7   4   5   3   4   3   2   1   1   5   3
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    60    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    60    61    62    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    60    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    71    43    50    54    55    60  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    68    71    75    54  
   46    48    49    52    53    50    54    55    60    56    57    63  
   48    49    52    50    54    56  
   51    58    59    65    68    71    75    76    77    78  
   49    52    53    50    54    56    57    63    64    67  
   52    53    50    56    57    63  
   54    55    60    61    62    56    52    53  
   58    59    65    66    68    71    75  
   53    54    55    60    56    57    63  
   54    56  
   55    60    61    62  
   60    61    62  
   57    63    64    67    69    70  
   63    64    67  
   59    65    66    68    71  
   65    66    68  
   61    62  
   62  
    0  
   64    67    69    72    85    70    74  
   67    69    70  
   66    68    71    75  
   68    71  
   69    72    73    79    84    85    70    74    80  
   71    75    76    77    78  
   72    73    79    84    85    86    70    74  
   74    80    81    82    83    72    85  
   75    76    77    78  
   73    79    84    85    86  
   79    84    85  
   80    81    82    83  
   76    77    78  
   77    78  
   78  
    0  
   84    85    86    87    88  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.341500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.168800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.7500   0.1050   0.537900   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   67   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   68   3.2800   0.1700  -0.676700   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.2500   0.1700  -0.097500   1.9050   1.6860   0.051222218  -2.220205820
   72   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   80   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   85   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   86   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   87   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   56    57   434.000  1.010
   56    63   490.000  1.335
   63    64   570.000  1.229
   63    67   270.000  1.486
   67    69   305.000  1.466
   67    70   500.000  1.261
   69    72   520.000  1.370
   69    85   410.000  1.394
   72    73   367.000  1.080
   72    79   265.000  1.745
   79    84   250.000  1.765
   84    85   488.000  1.335
   84    86   420.000  1.385
   86    87   434.000  1.010
   86    88   434.000  1.010
   70    74   320.000  1.394
   74    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   215.000  1.812
   47    51   650.000  1.285
   47    71   445.000  1.380
   51    58   415.000  1.368
   58    59   570.000  1.229
   58    65   300.000  1.463
   65    66   795.000  1.237
   65    68   645.000  1.280
   68    71   355.000  1.315
   71    75   382.000  1.448
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    63    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    60    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    60    61    70.00000  117.00000
   54    60    62    70.00000  117.00000
   60    54    55    35.00000  109.50000
   62    60    61    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    63    64    80.00000  122.90000
   56    63    67    75.00000  109.57000
   63    56    57    35.00000  119.80000
   63    67    69    75.00000  114.44000
   63    67    70    65.00000  123.79500
   67    63    64    80.00000  120.45000
   67    69    72    60.00000  121.09900
   67    69    85    60.00000  126.00000
   67    70    74   100.00000  109.52600
   69    72    73    35.00000  130.70000
   69    72    79    80.00000  111.29200
   69    85    84    70.00000  110.00000
   72    79    84   120.00000   89.04400
   79    72    73    40.00000  122.38200
   79    84    85    80.00000  114.57700
   79    84    86    70.00000  122.29500
   84    86    87    35.00000  113.50000
   84    86    88    35.00000  113.50000
   85    69    72    70.00000  111.00000
   86    84    85    75.00000  125.31200
   88    86    87    35.00000  109.00000
   70    67    69    65.00000  124.33800
   70    74    80   110.00000  106.71400
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    90.00000  100.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    65.00000  128.43400
   44    47    71    85.00000  112.68500
   47    51    58    75.00000  109.13600
   47    71    68    80.00000  120.90300
   47    71    75    50.00000  119.50000
   51    58    59    80.00000  126.08800
   51    58    65    75.00000  113.76000
   58    65    66    80.00000  114.00000
   58    65    68    70.00000  119.25000
   65    58    59    80.00000  120.92000
   65    68    71    85.00000  114.46500
   68    65    66    75.00000  134.47000
   68    71    75    85.00000  114.74000
   71    47    51    75.00000  124.36500
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60  -2.17200  1.0 1.0
   29    33    54    60  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    60    61   0.00000  1.0 1.0
   33    54    60    62   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    60  -0.84850  1.0 1.0
   37    33    54    60  -0.22800 -1.0 2.0
   37    33    54    60   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    63  -0.43950  1.0 1.0
   45    48    56    63  -0.08100 -1.0 2.0
   45    48    56    63   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    60   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    63    64   3.04450 -1.0 2.0
   48    56    63    67   1.49850  1.0 1.0
   48    56    63    67   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    63   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    63  -0.42300  1.0 1.0
   52    48    56    63  -0.07000 -1.0 2.0
   52    48    56    63   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    60   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    62   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    63    67    69   1.50000 -1.0 2.0
   56    63    67    70   1.50000 -1.0 2.0
   57    56    63    64   2.45000 -1.0 2.0
   57    56    63    67   2.56700 -1.0 2.0
   63    67    69    72   0.30050 -1.0 2.0
   63    67    69    72   0.16600  1.0 3.0
   63    67    69    85   0.30050 -1.0 2.0
   63    67    69    85   0.16600  1.0 3.0
   63    67    70    74   6.00000 -1.0 2.0
   64    63    67    69   1.00000 -1.0 2.0
   64    63    67    70   1.00000 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    79   3.62500 -1.0 2.0
   67    69    85    84   3.62500 -1.0 2.0
   67    70    74    80   1.50000 -1.0 2.0
   69    67    70    74   6.00000 -1.0 2.0
   69    72   -79    84   3.62500 -1.0 2.0
   72    69   -85    84   2.40000 -1.0 2.0
   72    79   -84    85   3.62500 -1.0 2.0
   72    79    84    86   3.62500 -1.0 2.0
   73    72    79    84   3.62500 -1.0 2.0
   79    84   -85    69   3.62500 -1.0 2.0
   79    84    86    87   0.47600 -1.0 2.0
   79    84    86    88   0.47600 -1.0 2.0
   85    69    72    73   3.62500 -1.0 2.0
   85    69   -72    79   3.62500 -1.0 2.0
   85    84    86    87   1.75000 -1.0 2.0
   85    84    86    88   1.75000 -1.0 2.0
   86    84    85    69   3.62500 -1.0 2.0
   70    67    69    72   1.02250 -1.0 2.0
   70    67    69    85   1.02250 -1.0 2.0
   70    74    80    81   0.37500  1.0 3.0
   70    74    80    82   0.37500  1.0 3.0
   70    74    80    83   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    60  -0.84850  1.0 1.0
   40    33    54    60  -0.22800 -1.0 2.0
   40    33    54    60   0.29250  1.0 3.0
   40    44    47    51   2.00000 -1.0 2.0
   40    44    47    71   2.00000 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   6.00000 -1.0 2.0
   44    47    71    68   1.00000 -1.0 2.0
   44    47    71    75   1.00000 -1.0 2.0
   47    51    58    59   3.09300 -1.0 2.0
   47    51    58    65   1.50000 -1.0 2.0
   47    71    75    76   0.00000  1.0 1.0
   47    71    75    77   0.00000  1.0 1.0
   47    71    75    78   0.00000  1.0 1.0
   51    47    71    68   1.00000 -1.0 2.0
   51    47    71    75  -0.86000  1.0 1.0
   51    47    71    75   0.84650 -1.0 2.0
   51    58    65    66   1.50000 -1.0 2.0
   51    58   -65    68   1.50000 -1.0 2.0
   58    65    68    71   6.00000 -1.0 2.0
   59    58    65    66   1.00000 -1.0 2.0
   59    58    65    68   1.00000 -1.0 2.0
   65    68   -71    47   2.00000 -1.0 2.0
   65    68    71    75   2.00000 -1.0 2.0
   66    65    68    71   6.00000 -1.0 2.0
   68    71    75    76   0.00000  1.0 1.0
   68    71    75    77   0.00000  1.0 1.0
   68    71    75    78   0.00000  1.0 1.0
   71    47   -51    58   6.00000 -1.0 2.0
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
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   61    54    60    62  10.50000 -1.0 2.0
   57    63    56    48   1.00000 -1.0 2.0
   56    67    63    64  10.50000 -1.0 2.0
   63    69    67    70  10.50000 -1.0 2.0
   72    85    69    67   4.00000 -1.0 2.0
   79    73    72    69   1.10000 -1.0 2.0
   85    86    84    79   4.00000 -1.0 2.0
   88    84    86    87   1.00000 -1.0 2.0
   44    71    47    51  10.50000 -1.0 2.0
   51    65    58    59  10.50000 -1.0 2.0
   58    66    65    68  10.50000 -1.0 2.0
   75    47    71    68   1.00000 -1.0 2.0
END
