* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    158    257     473
    1     0 S   NP   _N1_     1    28.81428    97.41272   -22.26211
    2     1 S   H    _HN1     2     1.02936    42.00261   146.30645
    3     1 S   H    _H1_     3     1.02823   111.50281  -120.61475
    4     1 S   H    _H2_     4     1.02838    66.60441   -19.30136
    5     1 S   CT   _CA1     5     1.50569   134.41471    78.12334
    6     5 S   HC   _HA1     6     1.09690   104.48668   104.65359
    7     5 S   CO3  _C1_     7     1.54360   110.86939   -11.08806
    8     7 S   O2Z  _O11     8     1.26000   116.71356  -117.24609
    9     7 S   O2Z  _O12     9     1.26606   113.73296    61.27945
   10     5 S   CT   _CB1    10     1.53079   106.88700  -139.39412
   11    10 S   HC   HB11    11     1.09865   109.76648   -42.16722
   12    10 S   HC   HB12    12     1.09763   110.40986    74.47140
   13    10 S   CT   _CG1    13     1.53046   112.38016  -162.57530
   14    13 S   HC   HG11    14     1.09489   111.28553   -65.55903
   15    13 S   HC   HG12    15     1.09660   109.42530    53.59729
   16    13 S   C    _CD1    16     1.51795   111.55279   174.11234
   17    16 S   O    _OE1    17     1.22800   123.05485    21.01110
   18    16 S   N    _N2_    18     1.38507   112.10954  -159.18482
   19    18 S   H    _HN2    19     1.01999   118.84837    -0.60652
   20    18 S   CT1  _CA2    20     1.46229   123.60327   177.62109
   21    20 S   HC   _HA2    21     1.09732   109.11292    13.94080
   22    20 S   C    _C2_    22     1.53729   109.52594  -102.04905
   23    22 S   O    _O2_    23     1.23134   122.03619  -149.51181
   24    20 S   CT   _CB2    32     1.53323   111.24138   135.67753
   25    24 S   HC   HB21    33     1.09598   109.34963    58.79659
   26    24 S   HC   HB22    34     1.09504   110.78913   177.66016
   27    22 S   N    _N3_    24     1.38274   114.16738    38.17409
   28    27 S   H    _HN3    25     1.01501   119.70078    -3.90686
   29    24 S   S    _SG2    35     1.82777   111.50153   -62.12005
   30    27 S   CT   _CA3    26     1.45288   123.26715   177.05383
   31    30 S   HC   HA31    27     1.09553   107.57570   -62.25098
   32    30 S   HC   HA32    28     1.09555   107.89606    54.16331
   33    29 S   CT   _C15    36     1.84326    99.24597   165.56161
   34    33 S   HC   _H4_    37     1.09119   104.71736   -30.10509
   35    30 S   CO3  _C3_    29     1.52995   114.11624   176.04928
   36    35 S   O2Z  _O31    30     1.26384   116.13556    -2.31063
   37    35 S   O2Z  _O32    31     1.26444   114.40859   177.72454
   38    33 S   CA   _C16    38     1.52541   112.32930    88.77686
   39    33 S   CT   _C14    67     1.53764   110.48547  -145.69663
   40    39 S   HC   _H10    68     1.09715   111.28712   -56.01102
   41    39 S   HC   _H11    69     1.09761   110.77657  -174.36466
   42    38 S   CA   _C17    39     1.40966   119.64997    56.31646
   43    42 S   HA   _H12    40     1.08810   120.41688    -0.22555
   44    39 S   CO4  _C13    70     1.51429   112.65706    66.00834
   45    44 S   O    _O36    71     1.22362   123.55669  -129.30379
   46    42 S   CA   _C18    41     1.39435   121.33386   179.75691
   47    46 S   HA   _H13    42     1.08617   119.36961   179.61184
   48    44 S   OS   _O35    72     1.36215   109.98332    52.21253
   49    46 S   CA   _C19    43     1.38988   119.59545    -0.38664
   50    48 S   CT   _C11    73     1.44486   118.64837  -175.72204
   51    50 S   HC   _H3_    74     1.09732   111.59203     6.01213
   52    49 S   CA   _C20    44     1.39550   120.48703    -0.50007
   53    49 S   OH   _O40    65     1.36835   120.20991   179.76510
   54    53 S   HO   _H22    66     0.97206   108.81577    -0.38308
   55    50 S   CO3  _C12    75     1.54089   105.35013   122.77406
   56    55 S   O2Z  _O34    76     1.26297   116.50894    98.88045
   57    55 S   O2Z  _O33    77     1.26555   114.50577   -80.08256
   58    50 S   CT   _C10    78     1.53068   108.57746  -115.91467
   59    58 S   HC   _H8_    79     1.09734   110.48421   -51.99399
   60    58 S   HC   _H9_    80     1.09760   110.42368  -169.14562
   61    38 S   CA   _C21    45     1.41898   121.67566  -125.56101
   62    52 S   OH   _O39    63     1.37207   117.15654  -179.78330
   63    62 S   HO   _H21    64     0.97060   109.78723  -175.32748
   64    58 S   CA   _C9_    81     1.51077   112.30674    69.35536
   65    61 S   CM   _C22    46     1.47121   119.89259    -2.00193
   66    65 S   HC   _H14    47     1.08609   116.31536    78.61468
   67    64 S   CA   _C4_    82     1.40227   120.40932    80.23379
   68    67 S   HA   _H5_    83     1.08741   120.20688     0.88911
   69    65 S   CM   _C23    48     1.34169   121.07774   -98.28136
   70    69 S   HC   _H15    49     1.08750   120.85930    -3.70465
   71    67 S   CA   _C5_    84     1.39623   120.54750  -178.82197
   72    71 S   HA   _H6_    85     1.08613   119.34208   179.94766
   73    69 S   CA   _C24    50     1.46734   123.18551   175.85811
   74    71 S   CA   _C6_    86     1.39364   119.69226     0.14265
   75    73 S   CA   _C25    51     1.40178   119.13952   135.96954
   76    75 S   HA   _H16    52     1.08792   120.54389    -2.11396
   77    74 S   CA   _C7_    87     1.39258   120.21054     0.02798
   78    74 S   OH   _O42    92     1.36729   120.44924   179.91607
   79    78 S   HO   _H24    93     0.97205   108.70031    -0.14265
   80    75 S   CA   _C26    53     1.39704   120.55212   178.28035
   81    80 S   HA   _H17    54     1.08623   119.35165   179.43455
   82    64 S   CA   _C8_    88     1.40265   120.33640   -98.31418
   83    82 S   HA   _H7_    89     1.08725   119.75674    -0.84093
   84    77 S   OH   _O41    90     1.36752   119.33460   179.81025
   85    84 S   HO   _H23    91     0.97203   108.67622   179.97202
   86    80 S   CA   _C27    55     1.39344   119.71944    -0.91493
   87    86 S   CA   _C28    56     1.39245   120.18393    -0.19782
   88    86 S   OH   _O38    61     1.36716   120.43690  -179.66545
   89    88 S   HO   _H20    62     0.97195   108.77171    -0.43656
   90    73 S   CA   _C29    57     1.40288   121.58496   -47.25351
   91    90 S   HA   _H18    58     1.08733   120.28149     1.54978
   92    87 S   OH   _O37    59     1.36754   119.23843  -178.71275
   93    92 S   HO   _H19    60     0.97694   109.22822   171.66619
  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   9   5   4   3
  14   7   2   1   1  15   8   4   3   8   4   6   2   7   3   9
   7  10   7   8   3   1   6   2   1   9   4   3   7   2   1   9
   6   3   8   4   8   3   7   3   9   7   8   4   6   3   1   7
   3   3   1   1   1   7   6   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    61    65    39    40    41    44    45    48  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    61    65    66    69    62    39    40    41    44  
   40    41    44    45    48    50    42    61  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    61    65    53  
   46    47    49    61  
   45    48    50    51    55    58  
   48    50  
   47    49    52    61    62    53    54  
   49    52    53  
   50    51    55    56    57    58    59    60    64  
   52    61    65    62    63    53    54  
   51    55    56    57    58    59    60    64    67    82  
   55    56    57    58    59    60    64  
   61    65    66    69    62    63    53    54  
   54    61    62  
    0  
   56    57    58    59    60    64  
   57    58  
   58  
   59    60    64    67    68    71    77    82    83  
   60    64    67    82  
   64    67    82  
   65    66    69    70    73    62    63  
   63    65  
    0  
   67    68    71    72    74    77    82    83    84  
   66    69    70    73    75    90  
   69    70    73  
   68    71    72    74    77    82    83    78  
   71    72    74    82  
   70    73    75    76    80    87    90    91  
   73    75    90  
   72    74    77    82    84    78    79  
   74    77    78  
   75    76    80    81    86    87    90    91    92  
   77    82    83    84    85    78    79  
   76    80    81    86    87    90    91    88  
   80    81    86    90  
   82    83    84    85    78    79  
   79    82    84  
    0  
   81    86    87    90    92    88    89  
   86    87    88  
   83    84    85  
   84  
   85  
    0  
   87    90    91    92    93    88    89  
   90    91    92    93    88    89  
   89    90    92  
    0  
   91    92    93  
   92  
   93  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
   92   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    61   469.000  1.400
   52    62   450.000  1.364
   61    65   320.000  1.460
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    73   320.000  1.460
   73    75   469.000  1.400
   73    90   469.000  1.400
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   469.000  1.400
   86    88   450.000  1.364
   87    90   469.000  1.400
   87    92   450.000  1.364
   90    91   367.000  1.080
   92    93   553.000  0.945
   88    89   553.000  0.945
   62    63   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    67   469.000  1.400
   64    82   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    82   469.000  1.400
   77    84   450.000  1.364
   82    83   367.000  1.080
   84    85   553.000  0.945
   78    79   553.000  0.945
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    52    63.00000  120.00000
   38    61    65    60.00000  120.93500
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    61    63.00000  120.00000
   49    52    62    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    61    65    60.00000  120.93500
   52    62    63    35.00000  113.00000
   61    38    42    63.00000  120.00000
   61    65    66    40.00000  117.26300
   61    65    69    60.00000  123.20500
   65    69    70    35.00000  120.00000
   65    69    73    60.00000  123.20500
   69    65    66    35.00000  120.00000
   69    73    75    60.00000  120.93500
   69    73    90    60.00000  120.93500
   73    69    70    40.00000  117.26300
   73    75    76    35.00000  120.00000
   73    75    80    63.00000  120.00000
   73    90    87    63.00000  120.00000
   73    90    91    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    86    87    63.00000  120.00000
   80    86    88    70.00000  120.00000
   86    80    81    35.00000  120.00000
   86    87    90    63.00000  120.00000
   86    87    92    70.00000  120.00000
   86    88    89    35.00000  113.00000
   87    90    91    35.00000  120.00000
   87    92    93    35.00000  113.00000
   90    73    75    63.00000  120.00000
   92    87    90    70.00000  120.00000
   88    86    87    70.00000  120.00000
   62    52    61    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    85.00000  109.63000
   48    50    58    50.00000  109.50000
   50    55    56    70.00000  117.00000
   50    55    57    70.00000  117.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    64    70.00000  112.17500
   55    50    51    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    50    51    37.50000  110.70000
   58    50    55    70.00000  109.69300
   58    64    67    70.00000  120.00000
   58    64    82    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    82    77    63.00000  120.00000
   64    82    83    35.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    74    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   74    71    72    35.00000  120.00000
   74    77    82    63.00000  120.00000
   74    77    84    70.00000  120.00000
   74    78    79    35.00000  113.00000
   77    82    83    35.00000  120.00000
   77    84    85    35.00000  113.00000
   82    64    67    63.00000  120.00000
   84    77    82    70.00000  120.00000
   78    74    77    70.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    52   3.62500 -1.0 2.0
   33    38    61    65   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   38    61    65    66   0.56550  1.0 3.0
   38    61    65    69   0.15800  1.0 1.0
   38    61    65    69   1.85350 -1.0 2.0
   38    61    65    69  -0.48700  1.0 3.0
   42    38    61    52   3.62500 -1.0 2.0
   42    38    61    65   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    61   3.62500 -1.0 2.0
   46    49    52    62   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -61    38   3.62500 -1.0 2.0
   49    52    61    65   3.62500 -1.0 2.0
   49    52    62    63   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    61    65    66   0.56550  1.0 3.0
   52    61    65    69   0.15800  1.0 1.0
   52    61    65    69   1.85350 -1.0 2.0
   52    61    65    69  -0.48700  1.0 3.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   61    52    62    63   0.84100 -1.0 2.0
   61    65    69    70   7.00000 -1.0 2.0
   61    65    69    73   7.00000 -1.0 2.0
   65    69    73    75   0.15800  1.0 1.0
   65    69    73    75   1.85350 -1.0 2.0
   65    69    73    75  -0.48700  1.0 3.0
   65    69    73    90   0.15800  1.0 1.0
   65    69    73    90   1.85350 -1.0 2.0
   65    69    73    90  -0.48700  1.0 3.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    73   7.00000 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    80   3.62500 -1.0 2.0
   69    73    90    87   3.62500 -1.0 2.0
   69    73    90    91   3.62500 -1.0 2.0
   70    69    73    75   0.56550  1.0 3.0
   70    69    73    90   0.56550  1.0 3.0
   73    75    80    81   3.62500 -1.0 2.0
   73    75    80    86   3.62500 -1.0 2.0
   75    73    90    87   3.62500 -1.0 2.0
   75    73    90    91   3.62500 -1.0 2.0
   75    80   -86    87   3.62500 -1.0 2.0
   75    80    86    88   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    86   3.62500 -1.0 2.0
   80    86    87    90   3.62500 -1.0 2.0
   80    86    87    92   3.62500 -1.0 2.0
   80    86    88    89   0.84100 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    88   3.62500 -1.0 2.0
   86    87   -90    73   3.62500 -1.0 2.0
   86    87    90    91   3.62500 -1.0 2.0
   86    87    92    93   0.84100 -1.0 2.0
   87    86    88    89   0.84100 -1.0 2.0
   90    73    75    76   3.62500 -1.0 2.0
   90    73   -75    80   3.62500 -1.0 2.0
   90    87    92    93   0.84100 -1.0 2.0
   92    87    90    73   3.62500 -1.0 2.0
   92    87    90    91   3.62500 -1.0 2.0
   88    86    87    90   3.62500 -1.0 2.0
   88    86    87    92   3.62500 -1.0 2.0
   62    52    61    38   3.62500 -1.0 2.0
   62    52    61    65   3.62500 -1.0 2.0
   53    49    52    61   3.62500 -1.0 2.0
   53    49    52    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -1.80650  1.0 1.0
   44    48    50    55   0.63900 -1.0 2.0
   44    48    50    55   0.03650  1.0 3.0
   44    48    50    58  -0.25900  1.0 1.0
   44    48    50    58  -0.47000 -1.0 2.0
   44    48    50    58   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.30150 -1.0 2.0
   48    50    55    57   0.30150 -1.0 2.0
   48    50    58    59   0.23400  1.0 3.0
   48    50    58    60   0.23400  1.0 3.0
   48    50    58    64  -0.64350  1.0 1.0
   48    50    58    64  -0.04200 -1.0 2.0
   48    50    58    64   0.19800  1.0 3.0
   50    58    64    67   0.04150 -1.0 2.0
   50    58    64    82   0.04150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    64   0.43200  1.0 3.0
   55    50    58    59  -0.11250  1.0 3.0
   55    50    58    60  -0.11250  1.0 3.0
   55    50    58    64  -2.95950  1.0 1.0
   55    50    58    64   0.02300  1.0 3.0
   58    50    55    56   0.41150 -1.0 2.0
   58    50    55    57   0.41150 -1.0 2.0
   58    64    67    68   3.62500 -1.0 2.0
   58    64    67    71   3.62500 -1.0 2.0
   58    64    82    77   3.62500 -1.0 2.0
   58    64    82    83   3.62500 -1.0 2.0
   59    58    64    67   0.00000  1.0 1.0
   59    58    64    82   0.00000  1.0 1.0
   60    58    64    67   0.00000  1.0 1.0
   60    58    64    82   0.00000  1.0 1.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    74   3.62500 -1.0 2.0
   67    64    82    77   3.62500 -1.0 2.0
   67    64    82    83   3.62500 -1.0 2.0
   67    71   -74    77   3.62500 -1.0 2.0
   67    71    74    78   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    74   3.62500 -1.0 2.0
   71    74    77    82   3.62500 -1.0 2.0
   71    74    77    84   3.62500 -1.0 2.0
   71    74    78    79   0.84100 -1.0 2.0
   72    71    74    77   3.62500 -1.0 2.0
   72    71    74    78   3.62500 -1.0 2.0
   74    77   -82    64   3.62500 -1.0 2.0
   74    77    82    83   3.62500 -1.0 2.0
   74    77    84    85   0.84100 -1.0 2.0
   77    74    78    79   0.84100 -1.0 2.0
   82    64    67    68   3.62500 -1.0 2.0
   82    64   -67    71   3.62500 -1.0 2.0
   82    77    84    85   0.84100 -1.0 2.0
   84    77    82    64   3.62500 -1.0 2.0
   84    77    82    83   3.62500 -1.0 2.0
   78    74    77    82   3.62500 -1.0 2.0
   78    74    77    84   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   61    62    52    49   4.00000 -1.0 2.0
   52    65    61    38   4.00000 -1.0 2.0
   61    66    65    69  15.00000 -1.0 2.0
   73    70    69    65  15.00000 -1.0 2.0
   75    90    73    69   4.00000 -1.0 2.0
   80    76    75    73   1.10000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   87    88    86    80   4.00000 -1.0 2.0
   90    92    87    86   4.00000 -1.0 2.0
   87    91    90    73   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   56    50    55    57  10.50000 -1.0 2.0
   67    82    64    58   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   74    72    71    67   1.10000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   82    84    77    74   4.00000 -1.0 2.0
   77    83    82    64   1.10000 -1.0 2.0
END
