* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    248     464
    1     0 S   NP   _N1_     1    29.03135    97.92121   -23.21124
    2     1 S   H    _HN1     2     1.02944    58.38747    16.16761
    3     1 S   H    _H1_     3     1.02826    51.61876   174.39136
    4     1 S   H    _H2_     4     1.02801   106.48158   -85.59271
    5     1 S   CT   _CA1     5     1.50099   141.25237    99.75855
    6     5 S   HC   _HA1     6     1.09577   105.17692   113.21831
    7     5 S   CO3  _C1_     7     1.53745   112.45525    -7.03138
    8     7 S   O2Z  _O11     8     1.26368   115.01880   -44.15131
    9     7 S   O2Z  _O12     9     1.26225   114.92477   134.88845
   10     5 S   CT   _CB1    10     1.53045   107.41820  -128.82091
   11    10 S   HC   HB11    11     1.09846   109.36099   -49.64982
   12    10 S   HC   HB12    12     1.09809   110.49178    66.95412
   13    10 S   CT   _CG1    13     1.53016   112.58208  -170.54953
   14    13 S   HC   HG11    14     1.09543   110.74485   -68.14564
   15    13 S   HC   HG12    15     1.09657   109.63120    51.12261
   16    13 S   C    _CD1    16     1.51771   111.75415   171.87762
   17    16 S   O    _OE1    17     1.22774   123.02781    18.96127
   18    16 S   N    _N2_    18     1.38612   112.01046  -161.25981
   19    18 S   H    _HN2    19     1.01597   119.11772     0.99740
   20    18 S   CT1  _CA2    20     1.46296   123.31564   175.96056
   21    20 S   HC   _HA2    21     1.09723   109.27411    10.16744
   22    20 S   C    _C2_    22     1.53783   109.31139  -105.58065
   23    22 S   O    _O2_    23     1.23106   122.06092  -153.46314
   24    20 S   CT   _CB2    32     1.53316   111.30972   132.23852
   25    24 S   HC   HB21    33     1.09395   109.19800    57.28526
   26    24 S   HC   HB22    34     1.09494   110.44322   175.68961
   27    22 S   N    _N3_    24     1.38245   114.13940    33.88149
   28    27 S   H    _HN3    25     1.01508   119.61204    -3.27752
   29    24 S   S    _SG2    35     1.83154   111.39175   -65.01009
   30    27 S   CT   _CA3    26     1.45263   123.39045   177.43494
   31    30 S   HC   HA31    27     1.09543   107.53316   -65.00875
   32    30 S   HC   HA32    28     1.09555   108.00133    51.48361
   33    29 S   CT   _C23    36     1.86428   101.12830   154.80805
   34    30 S   CO3  _C3_    29     1.52995   113.96407   173.49274
   35    34 S   O2Z  _O31    30     1.26399   116.08089     0.69802
   36    34 S   O2Z  _O32    31     1.26422   114.42148  -179.25664
   37    33 S   CM   _C11    37     1.52420   107.11370   -69.63899
   38    37 S   HC   _H32    38     1.09397   112.63580   -57.87709
   39    33 S   CT   _C21    76     1.54107   106.23414   175.44727
   40    39 S   HC   _H44    77     1.09692   111.79432   -61.58752
   41    39 S   HC   _H45    78     1.09723   110.66748   179.14202
   42    39 S   HC   _H46    79     1.09732   112.35446    59.61489
   43    33 S   CT   _C22    80     1.53620   109.08708    59.38624
   44    43 S   HC   _H47    81     1.09716   111.34864    56.12352
   45    43 S   HC   _H48    82     1.09456   112.99266   -64.60128
   46    43 S   HC   _H49    83     1.09660   110.94999   174.55335
   47    37 S   CMA  _C12    39     1.35533   131.78618   121.28744
   48    47 S   OM   _O21    40     1.26526   127.57105     2.57397
   49    47 S   OS   _O24    41     1.42036   110.01466  -179.09129
   50    49 S   CT   _C19    42     1.43047   112.17011   112.16400
   51    50 S   HC   _H42    43     1.09977   112.94644   -24.64769
   52    50 S   CM   _C7_    44     1.50686   110.03707  -146.17140
   53    52 S   CT   _C18    45     1.51779   111.52781  -126.67453
   54    53 S   HC   _H41    46     1.09865   108.00939  -130.68257
   55    52 S   CM   _C10    73     1.34039   123.69586    58.53083
   56    55 S   HC   _H30    74     1.08459   121.15550    -3.18672
   57    55 S   HC   _H31    75     1.08488   121.32037   176.84154
   58    53 S   CT   _C17    47     1.55472   102.15136   -15.69152
   59    58 S   HC   _H40    48     1.10119   107.26693   -80.19638
   60    53 S   CT   _C20    62     1.54298   114.17399   107.30582
   61    60 S   HC   _H43    63     1.09905   110.52445   -75.31101
   62    58 S   CM   _C6_    49     1.51971   117.44587   160.12747
   63    50 S   CT   _C15    70     1.52478   110.77575   100.64591
   64    63 S   HC   _H37    71     1.09836   110.75512    26.60482
   65    63 S   HC   _H38    72     1.09607   110.42344   -91.87874
   66    62 S   CT   _C13    50     1.50893   117.47174    39.12701
   67    66 S   HC   _H33    51     1.09680   110.29853    37.53893
   68    66 S   HC   _H34    52     1.09824   109.65785   153.19135
   69    62 S   CM   _C9_    67     1.34527   123.52402  -142.69386
   70    69 S   HC   _H28    68     1.08387   122.57467     0.34999
   71    69 S   HC   _H29    69     1.08579   121.18365  -179.37068
   72    66 S   CT   _C14    53     1.53022   112.08661   -86.74160
   73    72 S   HC   _H35    54     1.09771   107.83313  -165.89887
   74    72 S   HC   _H36    55     1.09800   110.22285   -50.28877
   75    72 S   CT   _C16    56     1.52573   112.97055    73.87715
   76    75 S   HC   _H39    57     1.09995   108.43276    62.30507
   77    75 S   CM   _C4_    58     1.49183   117.10763  -177.35470
   78    77 S   CO4  _C5_    59     1.47946   107.31160   154.02673
   79    78 S   O    _O22    60     1.21700   127.23807   166.97841
   80    77 S   CM   _C8_    64     1.33530   130.79069   -24.36398
   81    80 S   HC   _H26    65     1.08435   121.30439    -1.13419
   82    80 S   HC   _H27    66     1.08538   121.52452   179.07804
   83    78 S   OS   _O23    61     1.36499   106.53667   -11.51194
  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
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7  15  20   9   5   1   1  16   7  14   6  13   4   1
   1  11   6   5   3   1   1   8   4   3   8   4   6   5   2   3
   1   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    63  
   49    50  
   50    51    52    53    58    63    64    65    55  
   51    52    53    54    58    59    62    60    63    64    65    55    56    57  
   52    53    58    63    64    65    55  
   53    54    58    59    62    75    83    60    61    63    64    65    55    56    57  
   54    58    59    62    66    72    75    76    77    78    83    60    61    69    63    64    65    55    56    57  
   58    59    62    75    83    60    61    63    55  
   56    57    58    60    63  
   57  
    0  
   59    62    66    67    68    72    75    83    60    61    69    70    71    63    64    65  
   62    66    60    69    63    64    65  
   61    80    63    62    66    72    73    74    75    76    77    78    79    83  
   72    75    76    77    78    83  
   66    67    68    72    73    74    75    69    70    71    63    64    65  
   64    65    66    69  
   65  
    0  
   67    68    72    73    74    75    76    77    69    70    71  
   68    72    73    74    75    69  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75    76    77    78    83    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    83    80    81    82  
   77    78    83    80  
   78    79    83    80    81    82  
   79    83    80    81    82  
   83    80  
   81    82    83  
   82  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    63   268.000  1.529
   52    53   317.000  1.510
   52    55   549.000  1.340
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.510
   58    63   268.000  1.529
   62    66   317.000  1.510
   62    69   549.000  1.340
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    60   268.000  1.529
   77    78   320.000  1.462
   77    80   549.000  1.340
   78    79   570.000  1.229
   78    83   214.000  1.327
   83    60   320.000  1.410
   60    61   340.000  1.090
   80    81   340.000  1.080
   80    82   340.000  1.080
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   55    56   340.000  1.080
   55    57   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    63    50.00000  109.50000
   50    52    53    65.00000  117.92700
   50    52    55    70.00000  124.00000
   50    63    58    58.35000  112.70000
   50    63    64    37.50000  110.70000
   50    63    65    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    53    54    35.00000  109.50000
   52    53    58    70.00000  112.02700
   52    53    60    70.00000  112.02700
   52    55    56    35.00000  120.00000
   52    55    57    35.00000  120.00000
   53    58    59    37.50000  110.70000
   53    58    62    70.00000  112.02700
   53    58    63    58.35000  112.70000
   53    60    75    58.35000  112.70000
   53    60    83    50.00000  109.50000
   53    60    61    37.50000  110.70000
   58    53    54    37.50000  110.70000
   58    62    66    65.00000  117.92700
   58    62    69    70.00000  124.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   62    58    59    35.00000  109.50000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    72    70.00000  112.02700
   62    69    70    35.00000  120.00000
   62    69    71    35.00000  120.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    70.00000  112.02700
   72    75    60    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    65.00000  116.34900
   75    77    80    70.00000  124.00000
   75    60    83    50.00000  109.50000
   75    60    61    37.50000  110.70000
   77    75    76    35.00000  109.50000
   77    78    79    80.00000  123.72100
   77    78    83    90.00000  111.29400
   77    80    81    35.00000  120.00000
   77    80    82    35.00000  120.00000
   78    83    60    83.00000  116.90000
   83    78    79    83.00000  123.40000
   83    60    61    35.00000  109.50000
   60    53    54    37.50000  110.70000
   60    53    58    58.35000  112.70000
   60    75    76    37.50000  110.70000
   60    75    77    70.00000  112.02700
   80    77    78    65.00000  118.96000
   82    80    81    35.00000  117.00000
   69    62    66    70.00000  124.00000
   71    69    70    35.00000  117.00000
   63    50    51    37.50000  110.70000
   63    50    52    70.00000  112.02700
   63    58    59    37.50000  110.70000
   63    58    62    70.00000  112.02700
   65    63    64    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    35.00000  117.00000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   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    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    63  -0.46850  1.0 1.0
   47    49    50    63   0.09300 -1.0 2.0
   47    49    50    63  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.09700  1.0 1.0
   49    50    52    53   0.15600 -1.0 2.0
   49    50    52    53  -0.50800  1.0 3.0
   49    50    52    55   0.39000  1.0 1.0
   49    50    52    55  -0.05800 -1.0 2.0
   49    50    52    55  -0.55150  1.0 3.0
   49    50    63    58   0.62750  1.0 1.0
   49    50    63    58  -0.30950 -1.0 2.0
   49    50    63    58   0.27300  1.0 3.0
   49    50    63    64   0.23400  1.0 3.0
   49    50    63    65   0.23400  1.0 3.0
   50    52    53    54   0.34800  1.0 3.0
   50    52   -53    58   0.46850  1.0 1.0
   50    52   -53    58   0.08550 -1.0 2.0
   50    52   -53    58   0.09800  1.0 3.0
   50    52    53    60   0.46850  1.0 1.0
   50    52    53    60   0.08550 -1.0 2.0
   50    52    53    60   0.09800  1.0 3.0
   50    52    55    56   7.00000 -1.0 2.0
   50    52    55    57   7.00000 -1.0 2.0
   51    50    52    53   0.34800  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    63    58   0.15000  1.0 3.0
   51    50    63    64   0.15000  1.0 3.0
   51    50    63    65   0.15000  1.0 3.0
   52    50   -63    58   0.34400  1.0 1.0
   52    50   -63    58   0.09450 -1.0 2.0
   52    50   -63    58   0.11100  1.0 3.0
   52    50    63    64   0.15000  1.0 3.0
   52    50    63    65   0.15000  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    62   0.31000  1.0 1.0
   52    53    58    62   0.14700 -1.0 2.0
   52    53    58    62   0.07550  1.0 3.0
   52    53   -58    63   0.34400  1.0 1.0
   52    53   -58    63   0.09450 -1.0 2.0
   52    53   -58    63   0.11100  1.0 3.0
   52    53    60    75   0.34400  1.0 1.0
   52    53    60    75   0.09450 -1.0 2.0
   52    53    60    75   0.11100  1.0 3.0
   52    53    60    83   0.61850  1.0 1.0
   52    53    60    83  -0.22750 -1.0 2.0
   52    53    60    83   0.15300  1.0 3.0
   52    53    60    61   0.15000  1.0 3.0
   53    52    55    56   7.00000 -1.0 2.0
   53    52    55    57   7.00000 -1.0 2.0
   53    58    62    66   0.46850  1.0 1.0
   53    58    62    66   0.08550 -1.0 2.0
   53    58    62    66   0.09800  1.0 3.0
   53    58    62    69   0.09850  1.0 1.0
   53    58    62    69   0.15250 -1.0 2.0
   53    58    62    69  -0.50650  1.0 3.0
   53    58   -63    50   0.56750  1.0 1.0
   53    58   -63    50  -0.07550 -1.0 2.0
   53    58   -63    50   0.20000  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    62   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    60    75   0.15000  1.0 3.0
   54    53    60    83   0.23400  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   58    53    60    75   0.56750  1.0 1.0
   58    53    60    75  -0.07550 -1.0 2.0
   58    53    60    75   0.20000  1.0 3.0
   58    53    60    83   0.62750  1.0 1.0
   58    53    60    83  -0.30950 -1.0 2.0
   58    53    60    83   0.27300  1.0 3.0
   58    53    60    61   0.15000  1.0 3.0
   58    62    66    67   0.34800  1.0 3.0
   58    62    66    68   0.34800  1.0 3.0
   58    62    66    72   0.46850  1.0 1.0
   58    62    66    72   0.08550 -1.0 2.0
   58    62    66    72   0.09800  1.0 3.0
   58    62    69    70   7.00000 -1.0 2.0
   58    62    69    71   7.00000 -1.0 2.0
   59    58    62    66   0.34800  1.0 3.0
   59    58    62    69   0.00000  1.0 1.0
   59    58    63    50   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   62    58    63    50   0.34400  1.0 1.0
   62    58    63    50   0.09450 -1.0 2.0
   62    58    63    50   0.11100  1.0 3.0
   62    58    63    64   0.15000  1.0 3.0
   62    58    63    65   0.15000  1.0 3.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    74   0.15000  1.0 3.0
   62    66    72    75   0.34400  1.0 1.0
   62    66    72    75   0.09450 -1.0 2.0
   62    66    72    75   0.11100  1.0 3.0
   66    62    69    70   7.00000 -1.0 2.0
   66    62    69    71   7.00000 -1.0 2.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77   0.34400  1.0 1.0
   66    72    75    77   0.09450 -1.0 2.0
   66    72    75    77   0.11100  1.0 3.0
   66    72    75    60   0.56750  1.0 1.0
   66    72    75    60  -0.07550 -1.0 2.0
   66    72    75    60   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    75    77    78   0.09700  1.0 1.0
   72    75    77    78   0.15600 -1.0 2.0
   72    75    77    78  -0.50800  1.0 3.0
   72    75    77    80   0.09850  1.0 1.0
   72    75    77    80   0.15250 -1.0 2.0
   72    75    77    80  -0.50650  1.0 3.0
   72    75    60    53   0.56750  1.0 1.0
   72    75    60    53  -0.07550 -1.0 2.0
   72    75    60    53   0.20000  1.0 3.0
   72    75    60    83   0.62750  1.0 1.0
   72    75    60    83  -0.30950 -1.0 2.0
   72    75    60    83   0.27300  1.0 3.0
   72    75    60    61   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    60   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    60   0.15000  1.0 3.0
   75    77    78    79  -0.64400  1.0 1.0
   75    77    78    79   0.26850 -1.0 2.0
   75    77   -78    83  -0.15000  1.0 1.0
   75    77   -78    83   0.89550 -1.0 2.0
   75    77   -78    83  -0.06900  1.0 3.0
   75    77    80    81   7.00000 -1.0 2.0
   75    77    80    82   7.00000 -1.0 2.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   76    75    60    53   0.15000  1.0 3.0
   76    75    60    83   0.23400  1.0 3.0
   76    75    60    61   0.15000  1.0 3.0
   77    75    60    53   0.34400  1.0 1.0
   77    75    60    53   0.09450 -1.0 2.0
   77    75    60    53   0.11100  1.0 3.0
   77    75   -60    83   0.61850  1.0 1.0
   77    75   -60    83  -0.22750 -1.0 2.0
   77    75   -60    83   0.15300  1.0 3.0
   77    75    60    61   0.15000  1.0 3.0
   77    78   -83    60   2.00000 -1.0 2.0
   78    77    80    81   7.00000 -1.0 2.0
   78    77    80    82   7.00000 -1.0 2.0
   78    83    60    53  -0.25900  1.0 1.0
   78    83    60    53  -0.47000 -1.0 2.0
   78    83    60    53   0.11750  1.0 3.0
   78    83   -60    75  -0.25900  1.0 1.0
   78    83   -60    75  -0.47000 -1.0 2.0
   78    83   -60    75   0.11750  1.0 3.0
   78    83    60    61   0.08050  1.0 3.0
   79    78    83    60   3.00000 -1.0 2.0
   60    53    58    59   0.15000  1.0 3.0
   60    53    58    62   0.34400  1.0 1.0
   60    53    58    62   0.09450 -1.0 2.0
   60    53    58    62   0.11100  1.0 3.0
   60    53    58    63   0.56750  1.0 1.0
   60    53    58    63  -0.07550 -1.0 2.0
   60    53    58    63   0.20000  1.0 3.0
   60    75   -77    78   0.09700  1.0 1.0
   60    75   -77    78   0.15600 -1.0 2.0
   60    75   -77    78  -0.50800  1.0 3.0
   60    75    77    80   0.09850  1.0 1.0
   60    75    77    80   0.15250 -1.0 2.0
   60    75    77    80  -0.50650  1.0 3.0
   80    77    78    79   1.00000 -1.0 2.0
   80    77    78    83  -0.56150  1.0 1.0
   80    77    78    83   2.19150 -1.0 2.0
   69    62    66    67   0.00000  1.0 1.0
   69    62    66    68   0.00000  1.0 1.0
   69    62    66    72   0.09850  1.0 1.0
   69    62    66    72   0.15250 -1.0 2.0
   69    62    66    72  -0.50650  1.0 3.0
   63    50   -52    53   0.46850  1.0 1.0
   63    50   -52    53   0.08550 -1.0 2.0
   63    50   -52    53   0.09800  1.0 3.0
   63    50    52    55   0.09850  1.0 1.0
   63    50    52    55   0.15250 -1.0 2.0
   63    50    52    55  -0.50650  1.0 3.0
   63    58    62    66   0.46850  1.0 1.0
   63    58    62    66   0.08550 -1.0 2.0
   63    58    62    66   0.09800  1.0 3.0
   63    58    62    69   0.09850  1.0 1.0
   63    58    62    69   0.15250 -1.0 2.0
   63    58    62    69  -0.50650  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    58   0.09850  1.0 1.0
   55    52    53    58   0.15250 -1.0 2.0
   55    52    53    58  -0.50650  1.0 3.0
   55    52    53    60   0.09850  1.0 1.0
   55    52    53    60   0.15250 -1.0 2.0
   55    52    53    60  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
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
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    53    52    55   1.10000 -1.0 2.0
   58    66    62    69   1.10000 -1.0 2.0
   75    78    77    80   1.10000 -1.0 2.0
   77    83    78    79  10.50000 -1.0 2.0
   81    82    80    77   1.10000 -1.0 2.0
   70    71    69    62   1.10000 -1.0 2.0
   56    57    55    52   1.10000 -1.0 2.0
END
