* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    220     418
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02057   102.70714   -41.18848
    3     1 S   H    _H1_     3     1.02065    72.76316    64.71770
    4     1 S   H    _H2_     4     1.02160    41.00100  -145.11300
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84077    97.62329   161.85213
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.56795   110.34689    59.99866
   38    37 S   HC   _H35    38     1.10122   108.17129   -47.75228
   39    33 S   CT   _C18    76     1.53739   107.92505  -175.39440
   40    39 S   HC   _H36    77     1.08583   109.32216    57.35329
   41    39 S   HC   _H37    78     1.08542   109.32217   -62.60187
   42    39 S   HC   _H38    79     1.08555   109.33108   177.35840
   43    37 S   CT   _C15    39     1.57381   113.59158  -167.24414
   44    43 S   HC   _H34    40     1.11598   109.16849   -78.18862
   45    37 S   CO4  _C13    66     1.50640   111.76144    68.74577
   46    45 S   O    _O21    67     1.22427   124.06581    92.28398
   47    43 S   CA   _C8_    41     1.52369   111.02979   165.44453
   48    43 S   CM   _C10    56     1.49741   110.06853    39.76664
   49    45 S   OS   _O24    68     1.36358   109.53260   -87.67666
   50    47 S   CA   _C6_    42     1.39494   119.26138   118.36107
   51    50 S   HA   _H30    43     1.08659   120.57561    -0.09279
   52    48 S   CM   _C11    57     1.33030   123.52215   -13.97518
   53    49 S   CT   _C20    69     1.43191   115.42816   179.94766
   54    53 S   HC   _H42    70     1.09448   108.76168   -59.40751
   55    53 S   HC   _H43    71     1.09343   108.78177    59.35794
   56    50 S   CA   _C4_    44     1.39512   119.95869  -180.00000
   57    56 S   HA   _H28    45     1.08613   119.90236   179.91153
   58    52 S   CT   _C14    58     1.46940   111.91879   179.58599
   59    58 S   HC   _H32    59     1.09442   112.68783   118.19567
   60    58 S   HC   _H33    60     1.09370   112.62590  -116.51913
   61    33 S   NE   _N19    64     1.46351   107.77745   -58.72070
   62    61 S   H    _H45    65     1.01414   118.99551   -40.82345
   63    53 S   CT   _C19    72     1.51326   108.99018  -179.97202
   64    63 S   HC   _H39    73     1.09363   110.92030   -60.48022
   65    63 S   HC   _H40    74     1.09442   110.67890    60.39059
   66    63 S   HC   _H41    75     1.09505   110.61319   178.69509
   67    56 S   CA   _C5_    46     1.39445   120.04899     0.03426
   68    67 S   HA   _H29    47     1.08536   119.99441   179.93147
   69    58 S   OS   _O22    61     1.43625   103.20803     0.91300
   70    67 S   CA   _C7_    48     1.39546   119.94562    -0.06853
   71    70 S   HA   _H31    49     1.08684   119.59457   179.98022
   72    48 S   CO4  _C12    62     1.46348   129.91654   167.30209
   73    72 S   O    _O20    63     1.21867   126.02665     0.62683
   74    47 S   CA   _C9_    50     1.39513   120.70032   -61.62053
   75    74 S   OS   _O23    51     1.36209   120.78898     0.00000
   76    75 S   CTHO _C21    52     1.42184   117.36201  -150.02620
   77    76 S   F    _F25    53     1.35827   107.51002   150.05841
   78    76 S   F    _F26    54     1.35544   109.19531   -94.72510
   79    76 S   HC   _H44    55     1.09536   113.43560    29.96899
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  13  11
   7   8   4   8   6   5   4   6   3   7   4   3   3   1   3   2
   1   1   5   3   2   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    58    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    74    48    52    72    61    62    45    46    49    53    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    56    70    74    75    48    52    58    69    72    73    61    45    46    49  
   47    50    74    48    52    72    45  
   46    49    53    54    55    63    47    48    61  
   49    53  
   50    51    56    57    67    70    71    74    75    76    48    52    72  
   52    58    59    60    69    72    73    61    62    50    74  
   53    54    55    63    64    65    66  
   51    56    57    67    68    70    74    75  
   56    57    67    74  
   58    59    60    69    72    73    61    62  
   54    55    63    64    65    66  
   55    63    64    65    66  
   63    64    65    66  
   57    67    68    70    71    74  
   67    68    70  
   59    60    69    72    73    61    62  
   60    69    72    61  
   69    72    61  
   62    69    72  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    70    71    74    75  
   70    71    74  
   72    73  
   71    74    75    76  
   74    75  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.402800   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   79   2.5000   0.0300   0.030000   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   268.000  1.529
   33    61   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    74   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   450.000  1.364
   75    76   470.000  1.351
   76    77   455.000  1.355
   76    78   455.000  1.355
   76    79   375.000  1.089
   48    52   549.000  1.340
   48    72   320.000  1.462
   52    58   317.000  1.510
   52    61   425.000  1.378
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   320.000  1.410
   69    72   214.000  1.327
   72    73   570.000  1.229
   61    62   434.000  1.010
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    61    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    61    52    50.00000  121.00000
   33    61    62    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    74    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    72    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    56    63.00000  120.00000
   47    74    70    63.00000  120.00000
   47    74    75    70.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    67    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    67    68    35.00000  120.00000
   56    67    70    63.00000  120.00000
   67    56    57    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    74    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    74    75    70.00000  120.00000
   74    47    50    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    75    76    90.00000  114.16000
   75    76    77   110.00000  110.36100
   75    76    78   110.00000  110.36100
   75    76    79    60.00000  110.43500
   78    76    77   110.00000  107.78700
   79    76    77    55.00000  109.56900
   79    76    78    55.00000  109.56900
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    58    70.00000  124.00000
   48    52    61    70.00000  124.03900
   48    72    69    90.00000  111.29400
   48    72    73    80.00000  123.72100
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    69    85.00000  110.90400
   52    61    62    35.00000  114.50000
   58    69    72    83.00000  116.90000
   60    58    59    33.00000  107.80000
   69    58    59    35.00000  109.50000
   69    58    60    35.00000  109.50000
   69    72    73    83.00000  123.40000
   72    48    52    65.00000  118.96000
   61    33    37    80.00000  111.61500
   61    52    58    75.00000  116.24600
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    53    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    63    50.00000  109.50000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    66    37.50000  110.70000
   55    53    54    33.00000  107.80000
   63    53    54    37.50000  110.70000
   63    53    55    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    74   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    72   0.09700  1.0 1.0
   37    43    48    72   0.15600 -1.0 2.0
   37    43    48    72  -0.50800  1.0 3.0
   37    45    49    53   1.63150  1.0 1.0
   37    45    49    53   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    56   3.62500 -1.0 2.0
   43    47    74    70   3.62500 -1.0 2.0
   43    47    74    75   3.62500 -1.0 2.0
   43    48    52    58   7.00000 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    72    69  -0.15000  1.0 1.0
   43    48    72    69   0.89550 -1.0 2.0
   43    48    72    69  -0.06900  1.0 3.0
   43    48    72    73  -0.64400  1.0 1.0
   43    48    72    73   0.26850 -1.0 2.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    74   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    72   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    72   0.09700  1.0 1.0
   47    43    48    72   0.15600 -1.0 2.0
   47    43    48    72  -0.50800  1.0 3.0
   47    50    56    57   3.62500 -1.0 2.0
   47    50    56    67   3.62500 -1.0 2.0
   47    74    75    76   1.11600 -1.0 2.0
   50    47    74    70   3.62500 -1.0 2.0
   50    47    74    75   3.62500 -1.0 2.0
   50    56    67    68   3.62500 -1.0 2.0
   50    56   -67    70   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    67   3.62500 -1.0 2.0
   56    67    70    71   3.62500 -1.0 2.0
   56    67    70    74   3.62500 -1.0 2.0
   57    56    67    68   3.62500 -1.0 2.0
   57    56    67    70   3.62500 -1.0 2.0
   67    70   -74    47   3.62500 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   68    67    70    74   3.62500 -1.0 2.0
   70    74    75    76   1.11600 -1.0 2.0
   71    70    74    47   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    47    50    51   3.62500 -1.0 2.0
   74    47   -50    56   3.62500 -1.0 2.0
   74    75    76    77   0.73750  1.0 1.0
   74    75    76    77  -2.02850 -1.0 2.0
   74    75    76    77   0.37850  1.0 3.0
   74    75    76    78   0.73750  1.0 1.0
   74    75    76    78  -2.02850 -1.0 2.0
   74    75    76    78   0.37850  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    74   0.18050 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52   -58    69   0.39000  1.0 1.0
   48    52   -58    69  -0.05800 -1.0 2.0
   48    52   -58    69  -0.55150  1.0 3.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   52    48   -72    69  -0.56150  1.0 1.0
   52    48   -72    69   2.19150 -1.0 2.0
   52    48    72    73   1.00000 -1.0 2.0
   52    58   -69    72  -0.82050  1.0 1.0
   52    58   -69    72   0.00600 -1.0 2.0
   52    58   -69    72   0.04400  1.0 3.0
   58    52    61    33   1.00000 -1.0 2.0
   58    52    61    62   2.40850 -1.0 2.0
   58    69   -72    48   2.00000 -1.0 2.0
   58    69    72    73   3.00000 -1.0 2.0
   59    58    69    72   0.08050  1.0 3.0
   60    58    69    72   0.08050  1.0 3.0
   72    48   -52    58   7.00000 -1.0 2.0
   72    48    52    61   7.00000 -1.0 2.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    58    59  -0.18050  1.0 3.0
   61    52    58    60  -0.18050  1.0 3.0
   61    52    58    69   0.09700  1.0 1.0
   61    52    58    69   0.15600 -1.0 2.0
   61    52    58    69  -0.50800  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    53    54   0.08050  1.0 3.0
   45    49    53    55   0.08050  1.0 3.0
   45    49    53    63  -0.25900  1.0 1.0
   45    49    53    63  -0.47000 -1.0 2.0
   45    49    53    63   0.11750  1.0 3.0
   46    45    49    53   3.00000 -1.0 2.0
   49    53    63    64   0.23400  1.0 3.0
   49    53    63    65   0.23400  1.0 3.0
   49    53    63    66   0.23400  1.0 3.0
   54    53    63    64   0.15000  1.0 3.0
   54    53    63    65   0.15000  1.0 3.0
   54    53    63    66   0.15000  1.0 3.0
   55    53    63    64   0.15000  1.0 3.0
   55    53    63    65   0.15000  1.0 3.0
   55    53    63    66   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   50    74    47    43   4.00000 -1.0 2.0
   56    51    50    47   1.10000 -1.0 2.0
   67    57    56    50   1.10000 -1.0 2.0
   70    68    67    56   1.10000 -1.0 2.0
   74    71    70    67   1.10000 -1.0 2.0
   70    75    74    47   4.00000 -1.0 2.0
   43    72    48    52   1.10000 -1.0 2.0
   58    61    52    48   1.10000 -1.0 2.0
   48    69    72    73  10.50000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
