* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    157    231     446
    1     0 S   NP   _N1_     1    29.18960    96.52642   -25.63161
    2     1 S   H    _HN1     2     1.02950    62.97944    19.15424
    3     1 S   H    _H1_     3     1.02827    44.15237  -163.88247
    4     1 S   H    _H2_     4     1.02787   119.10278   -77.80488
    5     1 S   CT   _CA1     5     1.50118   127.66159   114.91983
    6     5 S   HC   _HA1     6     1.09574   105.18401   106.63121
    7     5 S   CO3  _C1_     7     1.53781   112.47744   -13.58945
    8     7 S   O2Z  _O11     8     1.26374   115.00052   -42.11080
    9     7 S   O2Z  _O12     9     1.26240   114.94044   136.99755
   10     5 S   CT   _CB1    10     1.53075   107.41520  -135.38594
   11    10 S   HC   HB11    11     1.09835   109.34896   -49.64456
   12    10 S   HC   HB12    12     1.09813   110.45647    66.95720
   13    10 S   CT   _CG1    13     1.52996   112.62131  -170.61778
   14    13 S   HC   HG11    14     1.09579   110.65584   -66.32029
   15    13 S   HC   HG12    15     1.09672   109.76251    52.91760
   16    13 S   C    _CD1    16     1.51803   112.17628   173.36886
   17    16 S   O    _OE1    17     1.22735   123.26898     8.41877
   18    16 S   N    _N2_    18     1.38654   111.70868  -171.69849
   19    18 S   H    _HN2    19     1.01581   118.92784     1.52161
   20    18 S   CT1  _CA2    20     1.46195   123.36743   176.99743
   21    20 S   HC   _HA2    21     1.09736   109.37279     2.96002
   22    20 S   C    _C2_    22     1.53564   108.56869  -112.51046
   23    22 S   O    _O2_    23     1.23057   122.29131  -147.59523
   24    20 S   CT   _CB2    32     1.53302   111.63932   125.00518
   25    24 S   HC   HB21    33     1.09586   110.12059    56.22463
   26    24 S   HC   HB22    34     1.09462   109.94139   175.30464
   27    22 S   N    _N3_    24     1.38333   113.68989    39.81128
   28    27 S   H    _HN3    25     1.01581   119.59246    -3.25462
   29    24 S   S    _SG2    35     1.82854   111.52726   -64.68358
   30    27 S   CT   _CA3    26     1.45286   123.23514   177.14762
   31    30 S   HC   HA31    27     1.09548   107.50764   -64.71381
   32    30 S   HC   HA32    28     1.09556   107.99440    51.73402
   33    29 S   CT   _C23    36     1.85166    99.59190   174.61089
   34    33 S   HC   _H3_    37     1.09833   105.75974   -48.64414
   35    30 S   CO3  _C3_    29     1.52966   114.05811   173.73709
   36    35 S   O2Z  _O31    30     1.26377   116.06587    -0.60813
   37    35 S   O2Z  _O32    31     1.26425   114.41914   179.45285
   38    33 S   CA   _C12    38     1.52225   110.66129    69.43513
   39    33 S   CT   _C22    73     1.55407   110.91474  -165.42204
   40    39 S   HC   _H53    74     1.09794   110.19247   -59.80999
   41    38 S   CA   _C7_    39     1.40293   119.64339  -119.57242
   42    41 S   HA   _H44    40     1.08810   120.28571     1.56047
   43    39 S   CZ   _C4_    75     1.47798   111.99460    60.54460
   44    43 S   NZ   _N24    76     1.16047   179.62361  -135.81524
   45    39 S   C    _C19    77     1.53374   109.30668  -179.73020
   46    45 S   O    _O28    78     1.22987   121.58570   -73.17376
   47    41 S   CA   _C8_    41     1.39977   121.12292  -178.15432
   48    47 S   HA   _H45    42     1.08559   117.62471  -179.70261
   49    45 S   N    _N27    79     1.38708   112.40432   105.03963
   50    49 S   H    _H55    80     1.01452   121.63392     2.54561
   51    47 S   CA   _C15    43     1.39546   120.38667     0.41212
   52    49 S   CRA  _C18    81     1.37358   121.37898  -175.10591
   53    51 S   CA   _C16    44     1.40005   118.57490     0.16313
   54    51 S   OS   _O30    52     1.36889   125.43550   179.83214
   55    52 S   N5B  _N26    82     1.31208   129.99115    -1.31284
   56    38 S   CA   _C10    45     1.40153   121.93658    62.29080
   57    56 S   HA   _H47    46     1.08731   120.50205    -2.44376
   58    53 S   OS   _O29    47     1.37360   119.87272  -178.10122
   59    54 S   CT   _C21    53     1.42528   117.46981    -2.10282
   60    59 S   HC   _H51    54     1.09562   111.04390    61.18057
   61    59 S   HC   _H52    55     1.09776   110.41130   -58.77476
   62    55 S   N5B  _N25    83     1.38312   111.55874   178.99946
   63    58 S   CT   _C20    48     1.42771   110.13242   -98.25734
   64    63 S   HC   _H48    49     1.09403   107.82643   176.56168
   65    63 S   HC   _H49    50     1.09571   111.27507    58.27465
   66    63 S   HC   _H50    51     1.09537   111.15635   -65.22366
   67    59 S   CA   _C13    56     1.51109   107.63689  -178.06023
   68    62 S   CRA  _C17    84     1.31805   112.15591    -0.09691
   69    67 S   CA   _C6_    57     1.40521   118.27511    92.83383
   70    69 S   HA   _H43    58     1.08810   120.21586     1.13557
   71    52 S   SA   _S41    85     1.70560   114.86286   177.78680
   72    68 S   CT   _C26    86     1.48079   125.31949  -179.63309
   73    72 S   F    _F37    87     1.35783   112.06161    -0.51091
   74    72 S   F    _F38    88     1.35779   112.04886   119.32861
   75    72 S   F    _F39    89     1.35767   112.11017  -120.40102
   76    69 S   CA   _C5_    59     1.39490   121.05057  -178.88935
   77    76 S   HA   _H42    60     1.08739   119.15518  -179.41684
   78    76 S   CA   _C11    61     1.39550   120.30347     0.69689
   79    78 S   CA   _C9_    62     1.40117   118.95658    -0.65012
   80    79 S   HA   _H46    63     1.08911   118.89259  -179.27046
   81    78 S   CT   _C24    69     1.50186   120.63615  -178.85585
   82    81 S   F    _F31    70     1.36228   113.36276   -27.35266
   83    81 S   F    _F32    71     1.36143   112.27310    92.65089
   84    81 S   F    _F33    72     1.36234   113.12719  -147.49880
   85    67 S   CA   _C14    64     1.41021   122.55808   -85.03548
   86    85 S   CT   _C25    65     1.50801   121.87685    -1.81316
   87    86 S   F    _F34    66     1.36341   113.73803   174.48054
   88    86 S   F    _F35    67     1.36215   112.42103   -65.74769
   89    86 S   F    _F36    68     1.36146   113.04135    54.39596
  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
  15   7   2   1   1  13  10   5   8   4   4   1   6   3   7   3
   6   3  10   5   9   8   4   3   1   4   9   4   3   6   3   2
   1   1  12   5   8   4   4   3   2   1   1   9   3   8  10   3
   4   2   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    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    41    56    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    53    56    57    39    40    43    44    45    46    49  
   38    41    56    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    51    53    56    57    58    39    40    43    45  
   40    43    44    45    46    49    50    52    41    56  
   43    44    45    46    49  
   42    47    48    51    53    56    57    54  
   47    48    51    56  
   44    45    46    49  
   45  
   46    49    50    52    55    71  
   49    50    52  
   48    51    53    56    58    54    59  
   51    53    54  
   50    52    55    62    68    71  
   52    55    71  
   53    56    57    58    63    54    59    60    61    67  
   55    62    68    71    72  
   56    57    58    63    64    65    66    54    59  
   59    60    61    67    69    85    56    58  
   62    68    71    72  
   57    58    63  
   58  
   63    64    65    66  
   60    61    67    69    70    76    79    85    86  
   61    67    69    85  
   67    69    85  
   68    71    72    73    74    75  
   64    65    66  
   65    66  
   66  
    0  
   69    70    76    77    78    79    80    85    86    87    88    89  
   71    72    73    74    75  
   70    76    77    78    79    85    86    81  
   76    77    78    85  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.3000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.428700   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.228700   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950  -0.062200   2.0080   1.7800   0.025682759  -1.666211680
   72   3.2500   0.0620   0.715000   2.4950   1.7500   0.005000000  -0.741685710
   73   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   83   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   84   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   85   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   88   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   89   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    56   469.000  1.400
   53    58   450.000  1.364
   56    57   367.000  1.080
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   317.000  1.510
   67    69   469.000  1.400
   67    85   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    81   317.000  1.510
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   317.000  1.510
   86    87   367.000  1.332
   86    88   367.000  1.332
   86    89   367.000  1.332
   81    82   367.000  1.332
   81    83   367.000  1.332
   81    84   367.000  1.332
   39    40   340.000  1.090
   39    43   390.000  1.470
   39    45   317.000  1.522
   43    44   650.000  1.157
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    52   360.000  1.404
   52    55   488.000  1.335
   52    71   250.000  1.765
   55    62   290.000  1.379
   62    68   488.000  1.335
   68    71   250.000  1.765
   68    72   295.000  1.488
   72    73   367.000  1.332
   72    74   367.000  1.332
   72    75   367.000  1.332
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    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    56    53    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    47    48    35.00000  120.00000
   41    47    51    63.00000  120.00000
   47    41    42    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    54    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    58    70.00000  120.00000
   51    54    59    75.00000  111.00000
   53    56    57    35.00000  120.00000
   53    58    63    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    53    56    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    51    53    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    85.00000  111.85700
   59    67    69    70.00000  120.00000
   59    67    85    70.00000  120.00000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    76    63.00000  120.00000
   67    85    79    63.00000  120.00000
   67    85    86    70.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    78    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    81    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    85    63.00000  120.00000
   78    81    82    50.00000  109.50000
   78    81    83    50.00000  109.50000
   78    81    84    50.00000  109.50000
   79    85    86    70.00000  120.00000
   85    67    69    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    87    50.00000  109.50000
   85    86    88    50.00000  109.50000
   85    86    89    50.00000  109.50000
   88    86    87    77.00000  109.10000
   89    86    87    77.00000  109.10000
   89    86    88    77.00000  109.10000
   81    78    79    70.00000  120.00000
   83    81    82    77.00000  109.10000
   84    81    82    77.00000  109.10000
   84    81    83    77.00000  109.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44   150.00000  180.00000
   39    45    46    80.00000  120.40000
   39    45    49    70.00000  116.60000
   43    39    40    35.00000  108.50000
   45    39    40    35.00000  109.50000
   45    39    43    70.00000  111.78000
   45    49    50    35.00000  119.80000
   45    49    52    65.00000  121.96500
   49    45    46    80.00000  122.90000
   49    52    55    70.00000  120.00000
   49    52    71    70.00000  123.00000
   52    49    50    45.00000  118.23600
   52    55    62   100.00000  108.10500
   52    71    68   125.00000   85.95600
   55    62    68   100.00000  108.10500
   62    68    71    80.00000  114.57700
   62    68    72    65.00000  125.57700
   68    72    73    85.00000  110.61800
   68    72    74    85.00000  110.61800
   68    72    75    85.00000  110.61800
   71    52    55    80.00000  114.57700
   72    68    71    65.00000  125.49400
   74    72    73    77.00000  109.10000
   75    72    73    77.00000  109.10000
   75    72    74    77.00000  109.10000
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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    56    53   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    49   1.39750  1.0 1.0
   33    39    45    49  -0.07950 -1.0 2.0
   33    39    45    49  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    56    53   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    47   -51    53   3.62500 -1.0 2.0
   41    47    51    54   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    51    53    56   3.62500 -1.0 2.0
   47    51    53    58   3.62500 -1.0 2.0
   47    51    54    59   1.63200 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    53   -56    38   3.62500 -1.0 2.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    58    63   1.63200 -1.0 2.0
   51    54    59    60   0.08050  1.0 3.0
   51    54    59    61   0.08050  1.0 3.0
   51    54    59    67  -0.50150  1.0 1.0
   51    54    59    67  -0.23050 -1.0 2.0
   51    54    59    67   0.70600  1.0 3.0
   53    51    54    59   1.63200 -1.0 2.0
   53    58    63    64   0.08050  1.0 3.0
   53    58    63    65   0.08050  1.0 3.0
   53    58    63    66   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    47   3.62500 -1.0 2.0
   56    53    58    63   1.63200 -1.0 2.0
   58    53    56    38   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   54    51    53    56   3.62500 -1.0 2.0
   54    51    53    58   3.62500 -1.0 2.0
   54    59    67    69   0.64500  1.0 1.0
   54    59    67    69   0.14800 -1.0 2.0
   54    59    67    69   0.20650  1.0 3.0
   54    59    67    85   0.64500  1.0 1.0
   54    59    67    85   0.14800 -1.0 2.0
   54    59    67    85   0.20650  1.0 3.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    76   3.62500 -1.0 2.0
   59    67    85    79   3.62500 -1.0 2.0
   59    67    85    86   3.62500 -1.0 2.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    85   0.00000  1.0 1.0
   61    59    67    69   0.00000  1.0 1.0
   61    59    67    85   0.00000  1.0 1.0
   67    69    76    77   3.62500 -1.0 2.0
   67    69    76    78   3.62500 -1.0 2.0
   67    85    86    87   0.00000  1.0 1.0
   67    85    86    88   0.00000  1.0 1.0
   67    85    86    89   0.00000  1.0 1.0
   69    67    85    79   3.62500 -1.0 2.0
   69    67    85    86   3.62500 -1.0 2.0
   69    76   -78    79   3.62500 -1.0 2.0
   69    76    78    81   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    85   3.62500 -1.0 2.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    83   0.00000  1.0 1.0
   76    78    81    84   0.00000  1.0 1.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    81   3.62500 -1.0 2.0
   78    79   -85    67   3.62500 -1.0 2.0
   78    79    85    86   3.62500 -1.0 2.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   79    85    86    87   0.00000  1.0 1.0
   79    85    86    88   0.00000  1.0 1.0
   79    85    86    89   0.00000  1.0 1.0
   80    79    85    67   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   85    67    69    70   3.62500 -1.0 2.0
   85    67   -69    76   3.62500 -1.0 2.0
   81    78    79    80   3.62500 -1.0 2.0
   81    78    79    85   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    45    49    50   2.45000 -1.0 2.0
   39    45    49    52   0.76000  1.0 1.0
   39    45    49    52   4.11600 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    49   0.00000  1.0 1.0
   45    39    43    44   0.00000  1.0 1.0
   45    49    52    55   0.96250 -1.0 2.0
   45    49    52    71   0.96250 -1.0 2.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    52   0.04000 -1.0 2.0
   49    52    55    62   3.62500 -1.0 2.0
   49    52    71    68   3.62500 -1.0 2.0
   50    49    52    55   0.96250 -1.0 2.0
   50    49    52    71   0.96250 -1.0 2.0
   52    55   -62    68   3.62500 -1.0 2.0
   55    52   -71    68   3.62500 -1.0 2.0
   55    62   -68    71   3.62500 -1.0 2.0
   55    62    68    72   3.62500 -1.0 2.0
   62    68   -71    52   3.62500 -1.0 2.0
   62    68    72    73   0.21350  1.0 3.0
   62    68    72    74   0.21350  1.0 3.0
   62    68    72    75   0.21350  1.0 3.0
   71    52   -55    62   3.62500 -1.0 2.0
   71    68    72    73   0.04300 -1.0 2.0
   71    68    72    74   0.04300 -1.0 2.0
   71    68    72    75   0.04300 -1.0 2.0
   72    68    71    52   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
   53    54    51    47   4.00000 -1.0 2.0
   56    58    53    51   4.00000 -1.0 2.0
   53    57    56    38   1.10000 -1.0 2.0
   69    85    67    59   4.00000 -1.0 2.0
   76    70    69    67   1.10000 -1.0 2.0
   78    77    76    69   1.10000 -1.0 2.0
   79    81    78    76   4.00000 -1.0 2.0
   85    80    79    78   1.10000 -1.0 2.0
   79    86    85    67   4.00000 -1.0 2.0
   39    49    45    46  10.50000 -1.0 2.0
   50    45    49    52   1.00000 -1.0 2.0
   55    71    52    49   4.00000 -1.0 2.0
   72    71    68    62   4.00000 -1.0 2.0
END
