* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    158    240     464
    1     0 S   NP   _N1_     1    29.00829    98.92961   -19.67376
    2     1 S   H    _HN1     2     1.02787    80.16948   -90.11592
    3     1 S   H    _H1_     3     1.02953    66.15132    25.02366
    4     1 S   H    _H2_     4     1.02832    60.89837   152.97548
    5     1 S   CT   _CA1     5     1.50088   167.38856   102.03761
    6     5 S   HC   _HA1     6     1.09572   105.28502   105.93877
    7     5 S   CO3  _C1_     7     1.53861   112.17797   -14.39556
    8     7 S   O2Z  _O11     8     1.26365   115.06650   -49.67853
    9     7 S   O2Z  _O12     9     1.26229   114.88713   129.36718
   10     5 S   CT   _CB1    10     1.53056   107.40721  -136.14633
   11    10 S   HC   HB11    11     1.09830   109.63370   -50.24787
   12    10 S   HC   HB12    12     1.09763   110.26100    66.24494
   13    10 S   CT   _CG1    13     1.52986   112.52476  -171.17225
   14    13 S   HC   HG11    14     1.09600   110.62000   -59.93499
   15    13 S   HC   HG12    15     1.09646   109.85956    59.29229
   16    13 S   C    _CD1    16     1.51762   112.22739  -179.91607
   17    16 S   O    _OE1    17     1.22745   123.24505     4.60896
   18    16 S   N    _N2_    18     1.38641   111.68687  -176.10238
   19    18 S   H    _HN2    19     1.01577   119.09845     3.41931
   20    18 S   CT1  _CA2    20     1.46261   123.34462  -177.71715
   21    20 S   HC   _HA2    21     1.09745   109.17894     3.15070
   22    20 S   C    _C2_    22     1.53483   109.22246  -112.60512
   23    22 S   O    _O2_    23     1.23074   122.18197  -150.34062
   24    20 S   CT   _CB2    32     1.53718   111.44350   124.63734
   25    24 S   HC   HB21    33     1.09300   109.17623    60.94625
   26    24 S   HC   HB22    34     1.09396   109.52574   179.66780
   27    22 S   N    _N3_    24     1.38304   113.81811    37.18855
   28    27 S   H    _HN3    25     1.01588   119.54663    -3.58135
   29    24 S   S    _SG2    35     1.82853   110.61114   -60.37552
   30    27 S   CT   _CA3    26     1.45289   123.17638   176.99665
   31    30 S   HC   HA31    27     1.09551   107.51578   -64.25373
   32    30 S   HC   HA32    28     1.09559   107.96773    52.16655
   33    29 S   CT   _C22    36     1.89118   103.31960   176.25974
   34    30 S   CO3  _C3_    29     1.52947   114.12004   174.16175
   35    34 S   O2Z  _O31    30     1.26372   116.06842    -0.68128
   36    34 S   O2Z  _O32    31     1.26430   114.41069   179.38579
   37    33 S   CT   _C23    37     1.54461   108.46885    53.86069
   38    37 S   HC   _H20    38     1.09584   112.21150    48.49894
   39    37 S   HC   _H21    39     1.09634   111.05354   168.07136
   40    37 S   HC   _H22    40     1.09531   111.76328   -72.84336
   41    33 S   CT   _C24    41     1.58954   107.87443   -67.33855
   42    41 S   OM   _O37    42     1.32738   109.65668  -177.54672
   43    41 S   HC   _H23    43     1.10278   105.98589   -50.27410
   44    41 S   HC   _H24    44     1.09897   106.45548    56.55020
   45    33 S   CT   _C14    45     1.58194   107.14573   172.71719
   46    45 S   HC   _H5_    46     1.09836   107.99773   178.49416
   47    45 S   CM   _C15    47     1.51504   115.26736   -59.94925
   48    47 S   HC   _H14    48     1.08696   116.87043    66.29741
   49    45 S   OS   _O34    62     1.45126   108.47070    61.44924
   50    47 S   CM   _C16    49     1.34240   123.80035  -115.07058
   51    50 S   HC   _H15    50     1.08533   118.93048     0.68700
   52    49 S   CO4  _C13    63     1.36283   118.51775   152.26119
   53    52 S   O    _O33    64     1.22464   126.05029     1.07338
   54    50 S   CM   _C17    51     1.44670   122.62773  -179.09259
   55    54 S   HC   _H16    52     1.08951   115.68129    -0.17017
   56    52 S   CT1  _C12    65     1.52397   109.26073   178.84835
   57    56 S   HC   _H4_    66     1.09642   109.02837    26.03701
   58    54 S   CM   _C18    53     1.34279   127.57267   179.77971
   59    58 S   HC   _H17    54     1.08947   116.75231  -180.00000
   60    56 S   CT   _C5_    67     1.54545   111.21600   -97.40907
   61    60 S   HC   _H3_    68     1.09951   108.01836   -58.24555
   62    56 S   N    _N4_    84     1.46137   104.78615   141.69601
   63    62 S   H    _H25    85     1.01580   117.54773    70.97641
   64    58 S   CM   _C19    55     1.44805   127.59556     0.01978
   65    64 S   HC   _H18    56     1.08522   117.81533    -0.03956
   66    60 S   CA   _C6_    69     1.52250   112.34721    60.92842
   67    60 S   CT   _C4_    80     1.53617   111.63123  -175.07785
   68    67 S   HC   _H6_    81     1.09558   111.80329   -57.18692
   69    67 S   HC   _H7_    82     1.09603   110.95637  -177.49939
   70    67 S   HC   _H8_    83     1.09504   111.08863    63.14493
   71    62 S   C    _C25    86     1.38338   123.14371  -101.40758
   72    71 S   O    _O38    87     1.22739   125.66449    -2.52840
   73    64 S   CM   _C20    57     1.34105   122.52487   179.96044
   74    73 S   HC   _H19    58     1.08929   119.88579     0.00000
   75    66 S   CA   _C7_    70     1.40384   121.68376    61.89846
   76    75 S   HA   _H9_    71     1.08735   120.69034     0.50163
   77    71 S   CT   _C26    88     1.50465   112.33653   176.87526
   78    77 S   HC   _H26    89     1.09385   110.32527    47.86342
   79    77 S   HC   _H27    90     1.09352   109.67556   167.50879
   80    77 S   HC   _H28    91     1.09345   109.44694   -72.66492
   81    73 S   CO3  _C21    59     1.53488   121.98347  -179.98022
   82    81 S   O2Z  _O36    60     1.26247   116.98207    -0.01978
   83    81 S   O2Z  _O35    61     1.26618   113.87960   179.97202
   84    75 S   CA   _C8_    72     1.39584   120.60740  -179.11929
   85    84 S   HA   _H10    73     1.08556   119.87496   179.60683
   86    84 S   CA   _C9_    74     1.39265   120.17030    -0.14804
   87    86 S   HA   _H11    75     1.08600   120.00104   179.78694
   88    86 S   CA   _C10    76     1.39274   119.87717    -0.09065
   89    88 S   HA   _H12    77     1.08619   119.99961   179.85598
   90    66 S   CA   _C11    78     1.40369   119.73042  -117.48189
   91    90 S   HA   _H13    79     1.08732   120.47749    -0.31775
  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
  15   2   1   1  11   4   3   2   7   3   2   1  10   5   8   4
   7   6   3  10   4   6   3  15   7   6   3  15   8   9   3   6
   3  13   5   2   1   1   5   4   4   3   8   4   3   2   1   1
   2   1   1   6   3   5   3   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    50    49    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    49  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    49  
   43    44    45  
   44    45  
   45  
   46    47    48    50    51    54    49    52    53    56  
   47    48    50    49    52  
   48    50    51    54    55    58    49    52  
   50    51    54    49  
   52    53    56    57    60    62    50  
   51    54    55    58    59    64  
   54    55    58  
   53    56    57    60    61    66    67    62    63    71  
   56    57    60    62  
   55    58    59    64    65    73  
   58    59    64  
   57    60    61    66    75    90    67    68    69    70    62    63    71    72    77  
   60    61    66    67    62    63    71  
   59    64    65    73    74    81  
   64    65    73  
   61    66    75    76    84    88    90    91    67    68    69    70    62    63    71  
   66    75    90    67    68    69    70    62  
   63    71    72    77    78    79    80    66    67  
   71    72    77  
   65    73    74    81    82    83  
   73    74    81  
   75    76    84    85    86    88    89    90    91    67    68    69    70  
   68    69    70    75    90  
   69    70  
   70  
    0  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83  
   81    82    83  
   76    84    85    86    87    88    90    91  
   84    85    86    90  
   78    79    80  
   79    80  
   80  
    0  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90    91  
   88    89    90  
   89    90    91  
   90    91  
   91  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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
   81   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    49   320.000  1.410
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    54   380.000  1.444
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    64   380.000  1.444
   64    65   340.000  1.080
   64    73   549.000  1.340
   73    74   340.000  1.080
   73    81   230.000  1.545
   81    82   656.000  1.250
   81    83   656.000  1.250
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    56   255.000  1.522
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   337.000  1.449
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    67   268.000  1.529
   66    75   469.000  1.400
   66    90   469.000  1.400
   75    76   367.000  1.080
   75    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   62    63   434.000  1.010
   62    71   490.000  1.335
   71    72   570.000  1.229
   71    77   317.000  1.522
   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  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    70.00000  112.02700
   33    45    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    45.00000  125.66300
   44    41    42    45.00000  125.66300
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    47    48    35.00000  117.00000
   45    47    50    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    54    70.00000  123.01800
   50    47    48    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    73    70.00000  123.01800
   64    58    59    35.00000  120.00000
   64    73    74    35.00000  120.00000
   64    73    81    55.00000  124.75400
   73    64    65    35.00000  120.00000
   73    81    82    85.00000  113.83300
   73    81    83    85.00000  113.83300
   81    73    74    40.00000  118.53000
   83    81    82    80.00000  126.00000
   49    45    46    35.00000  109.50000
   49    45    47    85.00000  110.90400
   49    52    53    83.00000  123.40000
   49    52    56    90.00000  109.72300
   52    56    57    45.00000  110.09800
   52    56    60    70.00000  110.61500
   52    56    62    80.00000  110.29000
   56    52    53    75.00000  123.42600
   56    60    61    37.50000  110.70000
   56    60    66    63.00000  114.00000
   56    60    67    58.35000  112.70000
   56    62    63    38.00000  118.40000
   56    62    71    50.00000  121.90000
   60    56    57    37.50000  110.70000
   60    66    75    70.00000  120.00000
   60    66    90    70.00000  120.00000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   66    60    61    35.00000  109.50000
   66    75    76    35.00000  120.00000
   66    75    84    63.00000  120.00000
   66    90    88    63.00000  120.00000
   66    90    91    35.00000  120.00000
   75    84    85    35.00000  120.00000
   75    84    86    63.00000  120.00000
   84    75    76    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   90    66    75    63.00000  120.00000
   90    88    89    35.00000  120.00000
   67    60    61    37.50000  110.70000
   67    60    66    70.00000  112.17500
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    60    80.00000  109.70000
   62    71    72    80.00000  122.90000
   62    71    77    70.00000  116.60000
   71    62    63    35.00000  119.80000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   77    71    72    80.00000  120.40000
   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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    40   0.15000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.56750  1.0 1.0
   29    33    45    47  -0.07550 -1.0 2.0
   29    33    45    47   0.20000  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    45    47    48   0.00000  1.0 1.0
   33    45    47    50   0.09850  1.0 1.0
   33    45    47    50   0.15250 -1.0 2.0
   33    45    47    50  -0.50650  1.0 3.0
   33    45    49    52  -0.25900  1.0 1.0
   33    45    49    52  -0.47000 -1.0 2.0
   33    45    49    52   0.11750  1.0 3.0
   37    33    41    42   0.62750  1.0 1.0
   37    33    41    42  -0.30950 -1.0 2.0
   37    33    41    42   0.27300  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.34400  1.0 1.0
   37    33    45    47   0.09450 -1.0 2.0
   37    33    45    47   0.11100  1.0 3.0
   37    33    45    49   0.62750  1.0 1.0
   37    33    45    49  -0.30950 -1.0 2.0
   37    33    45    49   0.27300  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.34400  1.0 1.0
   41    33    45    47   0.09450 -1.0 2.0
   41    33    45    47   0.11100  1.0 3.0
   41    33    45    49   0.62750  1.0 1.0
   41    33    45    49  -0.30950 -1.0 2.0
   41    33    45    49   0.27300  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.62750  1.0 1.0
   45    33    41    42  -0.30950 -1.0 2.0
   45    33    41    42   0.27300  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    47    50    51   7.00000 -1.0 2.0
   45    47    50    54   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    56   1.63150  1.0 1.0
   45    49    52    56   2.92000 -1.0 2.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52  -0.82050  1.0 1.0
   47    45    49    52   0.00600 -1.0 2.0
   47    45    49    52   0.04400  1.0 3.0
   47    50    54    55  -0.18600  1.0 3.0
   47    50    54    58   0.28850  1.0 1.0
   47    50    54    58   2.61350 -1.0 2.0
   47    50    54    58   0.78400  1.0 3.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    54   7.00000 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    64   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58  -0.18600  1.0 3.0
   54    58    64    65  -0.18600  1.0 3.0
   54    58    64    73   0.28850  1.0 1.0
   54    58    64    73   2.61350 -1.0 2.0
   54    58    64    73   0.78400  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    64   7.00000 -1.0 2.0
   58    64    73    74   7.00000 -1.0 2.0
   58    64    73    81   7.00000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    73  -0.18600  1.0 3.0
   64    73    81    82  -0.04000 -1.0 2.0
   64    73    81    82  -0.29050  1.0 3.0
   64    73    81    83  -0.04000 -1.0 2.0
   64    73    81    83  -0.29050  1.0 3.0
   65    64    73    74   7.00000 -1.0 2.0
   65    64    73    81   7.00000 -1.0 2.0
   74    73    81    82   0.00000  1.0 1.0
   74    73    81    83   0.00000  1.0 1.0
   49    45    47    48   0.00000  1.0 1.0
   49    45    47    50   0.39000  1.0 1.0
   49    45    47    50  -0.05800 -1.0 2.0
   49    45    47    50  -0.55150  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    60   0.36750  1.0 3.0
   49    52    56    62   0.40000  1.0 3.0
   52    56    60    61  -0.03800  1.0 3.0
   52    56    60    66  -0.84850  1.0 1.0
   52    56    60    66  -0.22800 -1.0 2.0
   52    56    60    66   0.29250  1.0 3.0
   52    56    60    67  -0.84850  1.0 1.0
   52    56    60    67  -0.22800 -1.0 2.0
   52    56    60    67   0.29250  1.0 3.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    71  -0.29800  1.0 1.0
   52    56    62    71   0.13950 -1.0 2.0
   52    56    62    71  -2.45650  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   56    60    66    75   0.00000  1.0 1.0
   56    60    66    90   0.00000  1.0 1.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.15000  1.0 3.0
   56    62    71    72   3.04450 -1.0 2.0
   56    62    71    77   1.15000  1.0 1.0
   56    62    71    77   3.04450 -1.0 2.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    66   0.23100  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    71   0.00000  1.0 1.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    71   0.25950  1.0 1.0
   60    56    62    71   0.43850 -1.0 2.0
   60    56    62    71   2.61650  1.0 3.0
   60    66    75    76   3.62500 -1.0 2.0
   60    66    75    84   3.62500 -1.0 2.0
   60    66    90    88   3.62500 -1.0 2.0
   60    66    90    91   3.62500 -1.0 2.0
   61    60    66    75   0.00000  1.0 1.0
   61    60    66    90   0.00000  1.0 1.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   66    60    67    68   0.43200  1.0 3.0
   66    60    67    69   0.43200  1.0 3.0
   66    60    67    70   0.43200  1.0 3.0
   66    75    84    85   3.62500 -1.0 2.0
   66    75    84    86   3.62500 -1.0 2.0
   75    66    90    88   3.62500 -1.0 2.0
   75    66    90    91   3.62500 -1.0 2.0
   75    84    86    87   3.62500 -1.0 2.0
   75    84   -86    88   3.62500 -1.0 2.0
   76    75    84    85   3.62500 -1.0 2.0
   76    75    84    86   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86    88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88   -90    66   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   89    88    90    66   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    66    75    76   3.62500 -1.0 2.0
   90    66   -75    84   3.62500 -1.0 2.0
   67    60    66    75   0.04150 -1.0 2.0
   67    60    66    90   0.04150 -1.0 2.0
   62    56    60    61   0.23200  1.0 3.0
   62    56    60    66   0.42250  1.0 1.0
   62    56    60    66  -0.48100 -1.0 2.0
   62    56    60    66   0.35650  1.0 3.0
   62    56    60    67   0.42250  1.0 1.0
   62    56    60    67  -0.48100 -1.0 2.0
   62    56    60    67   0.35650  1.0 3.0
   62    71    77    78   0.00000  1.0 1.0
   62    71    77    79   0.00000  1.0 1.0
   62    71    77    80   0.00000  1.0 1.0
   63    62    71    72   2.45000 -1.0 2.0
   63    62    71    77   2.45000 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    80   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    48    47    50  15.00000 -1.0 2.0
   54    51    50    47  15.00000 -1.0 2.0
   50    55    54    58  15.00000 -1.0 2.0
   64    59    58    54  15.00000 -1.0 2.0
   58    65    64    73  15.00000 -1.0 2.0
   81    74    73    64  15.00000 -1.0 2.0
   82    73    81    83  10.50000 -1.0 2.0
   49    56    52    53  10.50000 -1.0 2.0
   75    90    66    60   4.00000 -1.0 2.0
   84    76    75    66   1.10000 -1.0 2.0
   86    85    84    75   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   88    91    90    66   1.10000 -1.0 2.0
   63    71    62    56   1.00000 -1.0 2.0
   62    77    71    72  10.50000 -1.0 2.0
END
