* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    261     467
    1     0 S   NP   _N1_     1    28.82099    95.13709   -24.23626
    2     1 S   H    _HN1     2     1.02838    23.57830   152.07464
    3     1 S   H    _H1_     3     1.02826   110.35320  -120.06817
    4     1 S   H    _H2_     4     1.02926    84.41690   -12.58022
    5     1 S   CT   _CA1     5     1.50103   126.68092    99.01550
    6     5 S   HC   _HA1     6     1.09544   105.21158    79.42931
    7     5 S   CO3  _C1_     7     1.53820   112.46141   -41.21717
    8     7 S   O2Z  _O11     8     1.26470   115.06290   -41.72462
    9     7 S   O2Z  _O12     9     1.26225   115.06564   137.60267
   10     5 S   CT   _CB1    10     1.53068   107.51447  -162.06797
   11    10 S   HC   HB11    11     1.09840   109.90512   -43.30098
   12    10 S   HC   HB12    12     1.09811   110.27202    73.42778
   13    10 S   CT   _CG1    13     1.53073   112.51708  -163.91511
   14    13 S   HC   HG11    14     1.09341   111.01836   -60.67741
   15    13 S   HC   HG12    15     1.09650   109.54882    58.38801
   16    13 S   C    _CD1    16     1.51776   111.63717   179.21366
   17    16 S   O    _OE1    17     1.22794   122.89215    18.13808
   18    16 S   N    _N2_    18     1.38603   112.17367  -162.35934
   19    18 S   H    _HN2    19     1.01568   119.19245     0.59970
   20    18 S   CT1  _CA2    20     1.46356   123.12102   175.37272
   21    20 S   HC   _HA2    21     1.09751   109.22937     4.64300
   22    20 S   C    _C2_    22     1.53663   108.68488  -110.58478
   23    22 S   O    _O2_    23     1.23036   122.31507  -150.22337
   24    20 S   CT   _CB2    32     1.53502   111.84979   126.60260
   25    24 S   HC   HB21    33     1.09311   109.53342    59.59663
   26    24 S   HC   HB22    34     1.09294   109.40472   178.24699
   27    22 S   N    _N3_    24     1.38343   113.76228    37.29575
   28    27 S   H    _HN3    25     1.01540   119.55199    -3.30784
   29    24 S   S    _SG2    35     1.82709   110.67852   -63.36496
   30    27 S   CT   _CA3    26     1.45267   123.35743   177.25912
   31    30 S   HC   HA31    27     1.09545   107.51829   -64.91004
   32    30 S   HC   HA32    28     1.09552   108.01123    51.57430
   33    29 S   CT   _C10    36     1.85935   103.15771   157.35513
   34    30 S   CO3  _C3_    29     1.52989   113.96961   173.55494
   35    34 S   O2Z  _O31    30     1.26400   116.06566    -0.74019
   36    34 S   O2Z  _O32    31     1.26422   114.43617   179.32045
   37    33 S   CT1  _C9_    37     1.56465   110.82812    62.77107
   38    37 S   HC   _H6_    38     1.10078   108.66859    38.27311
   39    33 S   S    _S1_    63     1.86021   111.07211   -61.40876
   40    37 S   N4   _N4_    39     1.46514   102.25956   148.32934
   41    37 S   CO3  _C21    60     1.54310   122.99435   -86.23919
   42    41 S   O2Z  _O36    61     1.26315   116.25147   -73.53207
   43    41 S   O2Z  _O35    62     1.26445   114.78689   107.89654
   44    39 S   CRA  _C11    64     1.75237   106.06620   -58.39017
   45    40 S   C4   _C8_    40     1.35806   127.47796  -131.92684
   46    45 S   O    _O33    41     1.20979   132.53956   -38.83924
   47    40 S   C4T  _C6_    44     1.46916   116.32510    -9.35316
   48    47 S   HC   _H4_    45     1.09861   110.42992   103.45382
   49    44 S   N5B  _N5_    65     1.31266   123.85304     0.99564
   50    45 S   C4T  _C7_    42     1.54696    91.31314   136.07738
   51    50 S   HC   _H5_    43     1.09645   111.95802  -119.26425
   52    33 S   CT   _C5_    46     1.59703   112.54076   176.66364
   53    52 S   HC   _H3_    47     1.09528   111.76248    86.79319
   54    49 S   C5B  _C12    66     1.38514   110.37926   179.60042
   55    52 S   CT   _C4_    48     1.53253   115.94941   -34.97844
   56    55 S   HC   _H8_    49     1.09456   112.26444   -54.27645
   57    55 S   HC   _H9_    50     1.09548   110.39698  -174.39549
   58    55 S   HC   _H10    51     1.09429   111.42104    67.66522
   59    50 S   CT   _C22    52     1.52379   115.60482   111.50484
   60    59 S   HC   _H7_    53     1.09595   111.06580   -48.54171
   61    54 S   C5A  _C13    67     1.38200   114.66317    -0.05234
   62    61 S   HA   _H11    68     1.08113   129.48404  -178.53500
   63    54 S   CA   _C14    70     1.45649   120.89084  -178.08644
   64    59 S   CT   _C23    54     1.52172   110.86185    74.13584
   65    64 S   HC   _H20    55     1.09580   110.98344    59.05920
   66    64 S   HC   _H21    56     1.09392   111.59082   -61.80734
   67    64 S   HC   _H22    57     1.09523   110.53467   177.33788
   68    59 S   OH   _O37    58     1.42556   107.90789  -166.70044
   69    68 S   HO   _H23    59     0.97256   107.51435   179.22292
   70    44 S   SA   _S2_    69     1.71771   120.81723  -179.31045
   71    63 S   CA   _C15    71     1.39545   121.90996  -155.45939
   72    71 S   HA   _H12    72     1.08612   121.80873     1.62570
   73    71 S   CA   _C16    73     1.38990   119.60450  -177.83093
   74    73 S   HA   _H13    74     1.08393   121.98509   179.28921
   75    73 S   NAP  _N6_    75     1.35008   120.89425    -0.13122
   76    75 S   CA   _C17    76     1.34985   120.53469    -1.04117
   77    76 S   HA   _H14    77     1.08392   117.17754  -179.51989
   78    75 S   CT   _C19    80     1.47121   119.68787   178.00620
   79    78 S   HC   _H16    81     1.09531   108.50690  -148.72284
   80    78 S   HC   _H17    82     1.09537   108.44445   -31.23740
   81    63 S   CA   _C18    78     1.39661   119.64767    25.29508
   82    81 S   HA   _H15    79     1.08688   121.38596    -0.87737
   83    78 S   C    _C20    83     1.50590   110.95886    90.07012
   84    83 S   O    _O34    84     1.22737   123.83860     1.54142
   85    83 S   N    _N7_    85     1.37613   112.97222  -178.53593
   86    85 S   H    _H18    86     1.01474   122.97200     0.08393
   87    85 S   H    _H19    87     1.01468   120.25783  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  20   2   1   1  15   8  11  13   5   1   1   7  10   4  13   6
   7  12   5   6   4  10   3   2   1   1   7   6   5   2  10   5
   3   2   1   1   1   1   8   4   9   3  10   7   3   8   4   3
   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    55    41    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    47    48    52    53    55    56    57    58    41    42    43    39    44    49    70  
   35    36  
   36  
    0  
   38    40    45    46    50    47    48    52    53    55    41    42    43    39    44  
   40    45    47    52    41    42    43    39  
   44    49    54    61    70    40    41    47    52    53    55  
   45    46    50    51    47    48    52    53    55    59    41    42    43  
   42    43    45    47    52  
   43  
    0  
   49    54    61    62    70    63    52  
   46    50    51    47    48    52    59    60    64    68  
   50    51    47    59  
   48    52    53    55    56    57    58    59    60    64    68    50    51  
   52    53    55    59    50    51  
   54    61    62    70    63    71    81  
   51    52    53    55    59    60    64    65    66    67    68    69  
   52    59    60    64    68  
   53    55    56    57    58    59  
   55    56    57    58  
   61    62    70    63    71    72    73    76    81    82  
   56    57    58  
   57    58  
   58  
    0  
   60    64    65    66    67    68    69  
   64    65    66    67    68    69  
   62    70    63    71    81  
   70    63  
   71    72    73    74    75    76    77    81    82    70  
   65    66    67    68    69  
   66    67    68  
   67    68  
   68  
   69  
    0  
    0  
   72    73    74    75    76    81    82    78  
   73    74    75    81  
   74    75    76    77    81    78    79    80    83  
   75    76    78  
   76    77    81    82    78    79    80    83    84    85  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    84    85    86    87    81  
   80    83    84    85  
   83    84    85  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.335000   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   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0700   0.453400   2.5000   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   50   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   71   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   76   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   85   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   86   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   87   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   222.000  1.810
   37    38   340.000  1.090
   37    40   337.000  1.449
   37    41   317.000  1.522
   40    45   440.000  1.369
   40    47   305.000  1.456
   45    46   930.000  1.212
   45    50   250.000  1.540
   50    51   340.000  1.090
   50    47   268.000  1.529
   50    59   260.000  1.519
   47    48   340.000  1.090
   47    52   260.000  1.519
   52    53   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
   39    44   245.000  1.755
   44    49   488.000  1.335
   44    70   250.000  1.765
   49    54   410.000  1.394
   54    61   520.000  1.370
   54    63   330.000  1.454
   61    62   367.000  1.080
   61    70   265.000  1.745
   63    71   469.000  1.400
   63    81   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   485.000  1.342
   75    76   485.000  1.342
   75    78   280.000  1.457
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    82   367.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   317.000  1.522
   83    84   570.000  1.229
   83    85   490.000  1.335
   85    86   434.000  1.010
   85    87   434.000  1.010
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  108.68000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    40    80.00000  109.70000
   33    37    41    63.00000  111.10000
   33    52    47    70.00000  112.98000
   33    52    53    37.50000  110.70000
   33    52    55    58.35000  112.70000
   33    39    44    85.00000   97.05500
   37    40    45    50.00000  132.10000
   37    40    47    50.00000  132.70000
   37    41    42    70.00000  117.00000
   37    41    43    70.00000  117.00000
   40    37    38    35.00000  109.50000
   40    45    46    75.00000  131.60000
   40    45    50    95.00000   92.72400
   40    47    50   105.00000   87.49700
   40    47    48    50.00000  112.01000
   40    47    52    80.00000  110.05700
   45    50    51    40.00000  113.37500
   45    50    47   100.00000   86.36000
   45    50    59    63.00000  111.10000
   50    45    46    60.00000  136.58000
   50    47    48    37.50000  110.70000
   50    47    52    65.00000  119.52000
   50    59    60    45.00000  111.22300
   50    59    64    70.00000  112.98000
   50    59    68    50.00000  109.50000
   47    40    45   100.00000   93.00000
   47    50    51    37.50000  110.70000
   47    52    53    45.00000  111.22300
   47    52    55    70.00000  112.98000
   52    33    37    58.35000  112.70000
   52    47    48    45.00000  112.72800
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   55    52    53    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    51    45.00000  112.72800
   59    50    47    65.00000  119.52000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   59    68    69    55.00000  108.50000
   64    59    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    64    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    37    40    63.00000  110.10000
   43    41    42    80.00000  126.00000
   39    33    37    75.00000  108.68000
   39    33    52    75.00000  111.63000
   39    44    49    70.00000  126.12900
   39    44    70    70.00000  123.41300
   44    49    54    70.00000  110.00000
   44    70    61   120.00000   89.04400
   49    54    61    70.00000  111.00000
   49    54    63    70.00000  121.90000
   54    61    62    35.00000  130.70000
   54    61    70    80.00000  111.29200
   54    63    71    65.00000  120.49500
   54    63    81    65.00000  120.49500
   70    44    49    80.00000  114.57700
   70    61    62    40.00000  122.38200
   63    54    61    55.00000  131.00000
   63    71    72    35.00000  120.00000
   63    71    73    63.00000  120.00000
   63    81    76    63.00000  120.00000
   63    81    82    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  119.29800
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  123.81700
   73    75    78    70.00000  119.18700
   75    73    74    45.00000  112.84900
   75    76    77    45.00000  112.84900
   75    76    81    70.00000  119.29800
   75    78    79    50.00000  106.41000
   75    78    80    50.00000  106.41000
   75    78    83    80.00000  106.82000
   76    81    82    35.00000  120.00000
   81    63    71    63.00000  120.00000
   81    76    77    35.00000  120.00000
   78    75    76    70.00000  119.18700
   78    83    84    80.00000  120.40000
   78    83    85    70.00000  116.60000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    85    86    35.00000  119.80000
   83    85    87    35.00000  119.80000
   85    83    84    80.00000  122.90000
   87    85    86    35.00000  120.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.71400  1.0 1.0
   29    33    37    40   0.04300 -1.0 2.0
   29    33    37    40   0.01450  1.0 3.0
   29    33    37    41  -2.17200  1.0 1.0
   29    33    37    41  -0.85700 -1.0 2.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.44750  1.0 1.0
   29    33    52    55  -0.17800 -1.0 2.0
   29    33    52    55   0.20200  1.0 3.0
   29    33    39    44   0.08500  1.0 1.0
   29    33    39    44  -0.53150 -1.0 2.0
   29    33    39    44   0.48050  1.0 3.0
   33    37    40    45   0.00000  1.0 1.0
   33    37   -40    47   0.00000  1.0 1.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    43   0.00000  1.0 1.0
   33    52    55    56   0.15000  1.0 3.0
   33    52    55    57   0.15000  1.0 3.0
   33    52    55    58   0.15000  1.0 3.0
   33    39    44    49   0.63150 -1.0 2.0
   33    39    44    70   0.63150 -1.0 2.0
   37    33   -52    47   0.31550 -1.0 2.0
   37    33   -52    47   0.11250  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    55   0.56750  1.0 1.0
   37    33    52    55  -0.07550 -1.0 2.0
   37    33    52    55   0.20000  1.0 3.0
   37    33    39    44  -0.35400  1.0 1.0
   37    33    39    44  -0.24450 -1.0 2.0
   37    33    39    44   0.44000  1.0 3.0
   37    40    45    46   3.00000 -1.0 2.0
   37    40    45    50   3.00000 -1.0 2.0
   37    40   -47    50   0.00000  1.0 1.0
   37    40    47    48   0.00000  1.0 1.0
   37    40   -47    52   0.00000  1.0 1.0
   38    37    40    45   0.00000  1.0 1.0
   38    37    40    47   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    45    50    51   0.00000  1.0 1.0
   40    45   -50    47   3.00000 -1.0 2.0
   40    45    50    59   1.39750  1.0 1.0
   40    45    50    59  -0.07950 -1.0 2.0
   40    45    50    59  -0.18750  1.0 3.0
   40    47   -52    33   0.43900  1.0 1.0
   40    47   -52    33   0.49100 -1.0 2.0
   40    47   -52    33   0.28400  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    55   0.43900  1.0 1.0
   40    47    52    55   0.49100 -1.0 2.0
   40    47    52    55   0.28400  1.0 3.0
   45    40   -47    50   0.00000  1.0 1.0
   45    40    47    48   0.00000  1.0 1.0
   45    40    47    52   0.00000  1.0 1.0
   45    50   -47    40   3.00000 -1.0 2.0
   45    50   -47    48   0.15000  1.0 3.0
   45    50   -47    52  -0.95700  1.0 1.0
   45    50   -47    52  -0.18200 -1.0 2.0
   45    50   -47    52   0.29450  1.0 3.0
   45    50    59    60  -0.11250  1.0 3.0
   45    50    59    64  -0.95700  1.0 1.0
   45    50    59    64  -0.18200 -1.0 2.0
   45    50    59    64   0.29450  1.0 3.0
   45    50    59    68  -0.09450  1.0 1.0
   45    50    59    68  -1.12950 -1.0 2.0
   45    50    59    68   0.54000  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    47  -0.11250  1.0 1.0
   46    45    50    47   0.11400 -1.0 2.0
   46    45    50    47  -0.28950  1.0 3.0
   46    45    50    59   0.30150 -1.0 2.0
   50    47    52    33   0.04050  1.0 1.0
   50    47    52    33   0.63700 -1.0 2.0
   50    47    52    33   0.17650  1.0 3.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    55   0.04050  1.0 1.0
   50    47    52    55   0.63700 -1.0 2.0
   50    47    52    55   0.17650  1.0 3.0
   50    59    64    65   0.15000  1.0 3.0
   50    59    64    66   0.15000  1.0 3.0
   50    59    64    67   0.15000  1.0 3.0
   50    59    68    69  -0.11600  1.0 1.0
   50    59    68    69  -0.09450 -1.0 2.0
   50    59    68    69   0.21250  1.0 3.0
   51    50   -47    40   0.15000  1.0 3.0
   51    50    47    48   0.15000  1.0 3.0
   51    50    47    52   0.15000  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   51    50    59    68   0.23400  1.0 3.0
   47    40   -45    46   3.00000 -1.0 2.0
   47    40   -45    50   3.00000 -1.0 2.0
   47    50    59    60   0.00000  1.0 1.0
   47    50    59    64   0.04050  1.0 1.0
   47    50    59    64   0.63700 -1.0 2.0
   47    50    59    64   0.17650  1.0 3.0
   47    50    59    68   0.86500  1.0 1.0
   47    50    59    68  -0.17500 -1.0 2.0
   47    50    59    68   0.20800  1.0 3.0
   47    52    55    56   0.15000  1.0 3.0
   47    52    55    57   0.15000  1.0 3.0
   47    52    55    58   0.15000  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    40   0.42250  1.0 1.0
   52    33   -37    40  -0.48100 -1.0 2.0
   52    33   -37    40   0.35650  1.0 3.0
   52    33    37    41  -0.84850  1.0 1.0
   52    33    37    41  -0.22800 -1.0 2.0
   52    33    37    41   0.29250  1.0 3.0
   52    33    39    44  -0.35400  1.0 1.0
   52    33    39    44  -0.24450 -1.0 2.0
   52    33    39    44   0.44000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   59    50   -47    40   0.43900  1.0 1.0
   59    50   -47    40   0.49100 -1.0 2.0
   59    50   -47    40   0.28400  1.0 3.0
   59    50    47    48   0.15000  1.0 3.0
   59    50    47    52   0.56750  1.0 1.0
   59    50    47    52  -0.07550 -1.0 2.0
   59    50    47    52   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    68    69   0.19450  1.0 3.0
   64    59    68    69  -0.11600  1.0 1.0
   64    59    68    69  -0.09450 -1.0 2.0
   64    59    68    69   0.21250  1.0 3.0
   68    59    64    65   0.23400  1.0 3.0
   68    59    64    66   0.23400  1.0 3.0
   68    59    64    67   0.23400  1.0 3.0
   41    37    40    45   0.00000  1.0 1.0
   41    37    40    47   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.71400  1.0 1.0
   39    33    37    40   0.04300 -1.0 2.0
   39    33    37    40   0.01450  1.0 3.0
   39    33    37    41  -2.17200  1.0 1.0
   39    33    37    41  -0.85700 -1.0 2.0
   39    33    52    47   0.44750  1.0 1.0
   39    33    52    47  -0.17800 -1.0 2.0
   39    33    52    47   0.20200  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    55   0.44750  1.0 1.0
   39    33    52    55  -0.17800 -1.0 2.0
   39    33    52    55   0.20200  1.0 3.0
   39    44    49    54   3.62500 -1.0 2.0
   39    44    70    61   3.62500 -1.0 2.0
   44    49   -54    61   2.40000 -1.0 2.0
   44    49    54    63   3.62500 -1.0 2.0
   49    44   -70    61   3.62500 -1.0 2.0
   49    54    61    62   3.62500 -1.0 2.0
   49    54   -61    70   3.62500 -1.0 2.0
   49    54    63    71   0.04300  1.0 1.0
   49    54    63    71   0.58850 -1.0 2.0
   49    54    63    71   0.22750  1.0 3.0
   49    54    63    81   0.04300  1.0 1.0
   49    54    63    81   0.58850 -1.0 2.0
   49    54    63    81   0.22750  1.0 3.0
   54    61   -70    44   3.62500 -1.0 2.0
   54    63    71    72   3.62500 -1.0 2.0
   54    63    71    73   3.62500 -1.0 2.0
   54    63    81    76   3.62500 -1.0 2.0
   54    63    81    82   3.62500 -1.0 2.0
   61    54    63    71  -0.19450  1.0 1.0
   61    54    63    71   0.63300 -1.0 2.0
   61    54    63    71   0.07450  1.0 3.0
   61    54    63    81  -0.19450  1.0 1.0
   61    54    63    81   0.63300 -1.0 2.0
   61    54    63    81   0.07450  1.0 3.0
   62    61    70    44   3.62500 -1.0 2.0
   70    44   -49    54   3.62500 -1.0 2.0
   63    54    61    62   3.62500 -1.0 2.0
   63    54    61    70   3.62500 -1.0 2.0
   63    71    73    74   3.62500 -1.0 2.0
   63    71    73    75   3.62500 -1.0 2.0
   71    63    81    76   3.62500 -1.0 2.0
   71    63    81    82   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    81   3.62500 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    83   0.00000  1.0 1.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76   -81    63   3.62500 -1.0 2.0
   75    76    81    82   3.62500 -1.0 2.0
   75    78    83    84   0.30150 -1.0 2.0
   75    78    83    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    83   0.00000  1.0 1.0
   77    76    81    63   3.62500 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   81    63    71    72   3.62500 -1.0 2.0
   81    63   -71    73   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    81   3.62500 -1.0 2.0
   78    83    85    86   2.45000 -1.0 2.0
   78    83    85    87   2.45000 -1.0 2.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    85   0.00000  1.0 1.0
   80    78    83    84   0.00000  1.0 1.0
   80    78    83    85   0.00000  1.0 1.0
   84    83    85    86   2.45000 -1.0 2.0
   84    83    85    87   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    45    40    37   1.00000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   42    37    41    43  10.50000 -1.0 2.0
   49    70    44    39   4.00000 -1.0 2.0
   61    63    54    49   4.00000 -1.0 2.0
   70    62    61    54   1.10000 -1.0 2.0
   71    81    63    54   4.00000 -1.0 2.0
   73    72    71    63   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   81    77    76    75   1.10000 -1.0 2.0
   76    82    81    63   1.10000 -1.0 2.0
   78    85    83    84  10.50000 -1.0 2.0
   87    83    85    86   1.00000 -1.0 2.0
END
