* LIGAND DATABASE FILE (OPLS2005)
*
001      97    98    169    220     462
    1     0 S   NP   _N1_     1    28.77447    96.06114   -19.96276
    2     1 S   H    _HN1     2     1.02966    88.95352    31.58669
    3     1 S   H    _H1_     3     1.02838    41.16607   149.34847
    4     1 S   H    _H2_     4     1.02777    79.49555   -77.27164
    5     1 S   CT   _CA1     5     1.50106   151.17859   165.21142
    6     5 S   HC   _HA1     6     1.09566   105.28829    48.10015
    7     5 S   CO3  _C1_     7     1.53817   112.36710   -72.25649
    8     7 S   O2Z  _O11     8     1.26353   115.00304   -43.59413
    9     7 S   O2Z  _O12     9     1.26231   114.96047   135.74030
   10     5 S   CT   _CB1    10     1.53098   107.44570   166.14605
   11    10 S   HC   HB11    11     1.09817   109.49221   -49.88903
   12    10 S   HC   HB12    12     1.09830   110.33991    66.70958
   13    10 S   CT   _CG1    13     1.52995   112.63470  -171.00505
   14    13 S   HC   HG11    14     1.09562   110.36101   -60.02166
   15    13 S   HC   HG12    15     1.09627   110.14887    59.14347
   16    13 S   C    _CD1    16     1.51786   112.19722   179.43317
   17    16 S   O    _OE1    17     1.22720   123.21370   -10.98367
   18    16 S   N    _N2_    18     1.38580   111.63265   169.47699
   19    18 S   H    _HN2    19     1.01591   119.00906     1.61641
   20    18 S   CT1  _CA2    20     1.46250   123.47786  -177.37535
   21    20 S   HC   _HA2    21     1.09728   109.41750   -14.61256
   22    20 S   C    _C2_    22     1.53385   108.26555  -130.40779
   23    22 S   O    _O2_    23     1.23005   122.29095  -145.26755
   24    20 S   CT   _CB2    32     1.53442   111.10426   107.51944
   25    24 S   HC   HB21    33     1.09581   109.49963    54.21064
   26    24 S   HC   HB22    34     1.09494   110.73207   172.96349
   27    22 S   N    _N3_    24     1.38527   113.30830    42.08723
   28    27 S   H    _HN3    25     1.01530   118.90385    -0.54644
   29    24 S   S    _SG2    35     1.82871   111.60201   -67.57627
   30    27 S   CT   _CA3    26     1.45449   123.42402   175.07900
   31    30 S   HC   HA31    27     1.09525   109.20019    24.97523
   32    30 S   HC   HA32    28     1.09494   107.12663   141.98173
   33    29 S   CT   _C11    36     1.84305   100.15577   148.07221
   34    33 S   HC   _H3_    37     1.09504   105.10136   -49.44706
   35    30 S   CO3  _C3_    29     1.52933   113.15998   -98.47223
   36    35 S   O2Z  _O31    30     1.26398   115.42933   -43.61009
   37    35 S   O2Z  _O32    31     1.26359   114.96389   137.32831
   38    33 S   CA   _C10    38     1.53312   110.04961  -166.08343
   39    33 S   CT   _C12    65     1.53981   111.67557    65.73189
   40    39 S   HC   _H8_    66     1.09679   111.28034   -58.64034
   41    39 S   HC   _H9_    67     1.09166   111.62346    59.49856
   42    38 S   CA   _C5_    39     1.41577   122.74236   -71.25273
   43    39 S   CO4  _C13    68     1.51907   110.58376  -176.40681
   44    43 S   O    _O34    69     1.22830   122.36838    63.94989
   45    42 S   CA   _C6_    40     1.40670   120.50572  -178.64448
   46    45 S   HA   _H7_    41     1.08392   119.54890  -178.49923
   47    42 S   OS   _O33    60     1.37312   116.55506     2.71224
   48    43 S   CA   _C14    70     1.48166   118.66858  -111.97525
   49    45 S   CA   _C7_    42     1.39683   121.07101     1.41028
   50    47 S   CT   _C4_    61     1.42210   117.87064  -167.00601
   51    50 S   HC   _H4_    62     1.09420   107.66513   171.30272
   52    50 S   HC   _H5_    63     1.09523   111.46144    53.48898
   53    50 S   HC   _H6_    64     1.09449   110.89295   -71.22222
   54    48 S   CA   _C15    71     1.40360   119.45855   125.96474
   55    49 S   CA   _C8_    43     1.39714   118.75506    -0.45067
   56    49 S   OS   _O42    55     1.37086   125.22375   179.24437
   57    54 S   CA   _C16    72     1.39895   119.99921  -176.36762
   58    54 S   OH   _O39    96     1.37021   122.33466     3.15169
   59    58 S   HO   _H22    97     0.97316   109.50390     8.94758
   60    38 S   CA   _C9_    44     1.41117   119.55473   109.31317
   61    55 S   OS   _O41    50     1.37451   119.20250   179.84298
   62    56 S   CT   _C26    56     1.42198   117.40718     0.20271
   63    62 S   HC   _H29    57     1.09425   107.73769  -179.82086
   64    62 S   HC   _H30    58     1.09492   111.12759    62.46155
   65    62 S   HC   _H31    59     1.09489   111.17591   -62.11024
   66    57 S   CA   _C17    73     1.39820   120.13677    -2.78776
   67    57 S   OS   _O38    91     1.37225   120.49261  -179.26565
   68    60 S   OS   _O40    45     1.37535   119.49729    -0.62901
   69    61 S   CT   _C25    51     1.42833   110.09317   -94.91634
   70    69 S   HC   _H26    52     1.09402   107.77176   177.17596
   71    69 S   HC   _H27    53     1.09560   111.37997    58.88051
   72    69 S   HC   _H28    54     1.09515   111.27372   -64.62392
   73    66 S   CA   _C18    74     1.39751   119.93272     3.21467
   74    66 S   OS   _O37    86     1.37156   119.94912   179.59026
   75    67 S   CT   _C23    92     1.42766   110.25044   -86.33763
   76    75 S   HC   _H19    93     1.09402   107.81645  -171.62140
   77    75 S   HC   _H20    94     1.09401   110.89074    70.42350
   78    75 S   HC   _H21    95     1.09588   111.71595   -53.09811
   79    68 S   CT   _C24    46     1.42951   110.55593  -102.79541
   80    79 S   HC   _H23    47     1.09407   107.72898   167.40621
   81    79 S   HC   _H24    48     1.09575   111.82084    48.94221
   82    79 S   HC   _H25    49     1.09419   110.97574   -74.61973
   83    48 S   CA   _C19    75     1.40251   120.88033   -53.65761
   84    73 S   OS   _O36    81     1.37186   119.60167   179.49178
   85    74 S   CT   _C22    87     1.42798   110.10039    92.31086
   86    85 S   HC   _H16    88     1.09405   107.79183  -179.76761
   87    85 S   HC   _H17    89     1.09544   111.29765    61.96482
   88    85 S   HC   _H18    90     1.09546   111.29961   -61.49590
   89    83 S   OS   _O35    76     1.37194   120.68300    -2.78010
   90    84 S   CT   _C21    82     1.42782   110.08526   -95.03142
   91    90 S   HC   _H13    83     1.09402   107.80374   176.71127
   92    90 S   HC   _H14    84     1.09568   111.39902    58.35926
   93    90 S   HC   _H15    85     1.09516   111.16758   -65.10133
   94    89 S   CT   _C20    77     1.42840   110.27344   -92.94296
   95    94 S   HC   _H10    78     1.09402   107.76509   178.26415
   96    94 S   HC   _H11    79     1.09550   111.31818    59.99931
   97    94 S   HC   _H12    80     1.09524   111.28977   -63.47111
  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   9   4   3  12   8   3   9   4   6  11
  10   3   2   1   1  10  10   6  13   4   1   7   5   3   2   1
   1  12   6   4   3   2   1   1  10   6   3   2   1   1   3   2
   1   1   7   5   3   2   1   1   4   3   2   1   1   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    42    60    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    55    60    68    47    39    40    41    43    44    48  
   38    42    60    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    49    55    60    68    79    61    47    50    39    40    41    43  
   40    41    43    44    48    54    83    42    60  
   41    43    44    48  
   43    44    48  
   45    46    49    55    60    68    56    47    50    51    52    53  
   44    48    54    57    73    83    89    58  
   48    54    83  
   46    49    55    60    61    56    62    47    50  
   49    55    56    47  
   50    51    52    53    49    60  
   54    57    66    73    83    89    94    84    67    58    59  
   55    60    68    61    69    56    62    63    64    65  
   51    52    53  
   52    53  
   53  
    0  
   57    66    73    83    89    74    67    75    58    59  
   60    68    79    61    69    70    71    72    56    62  
   62    63    64    65    60    61  
   66    73    83    84    74    85    67    75    76    77    78    58    59  
   59    66    67    83  
    0  
   68    79    80    81    82    61    69  
   69    70    71    72    68  
   63    64    65  
   64    65  
   65  
    0  
   73    83    89    84    90    74    85    86    87    88    67    75  
   75    76    77    78    73    74  
   79    80    81    82  
   70    71    72  
   71    72  
   72  
    0  
   83    89    94    84    90    91    92    93    74    85  
   85    86    87    88    83    84  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
   89    94    95    96    97    84    90  
   90    91    92    93    89  
   86    87    88  
   87    88  
   88  
    0  
   94    95    96    97  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97  
   96    97  
   97  
    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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    60   469.000  1.400
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    55   469.000  1.400
   49    56   450.000  1.364
   55    60   469.000  1.400
   55    61   450.000  1.364
   60    68   450.000  1.364
   68    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   61    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    48   310.000  1.470
   48    54   469.000  1.400
   48    83   469.000  1.400
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    66   469.000  1.400
   57    67   450.000  1.364
   66    73   469.000  1.400
   66    74   450.000  1.364
   73    83   469.000  1.400
   73    84   450.000  1.364
   83    89   450.000  1.364
   89    94   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   84    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   74    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   67    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   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    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    45    63.00000  120.00000
   38    42    47    70.00000  120.00000
   38    60    55    63.00000  120.00000
   38    60    68    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   42    47    50    75.00000  111.00000
   45    49    55    63.00000  120.00000
   45    49    56    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    55    60    63.00000  120.00000
   49    55    61    70.00000  120.00000
   49    56    62    75.00000  111.00000
   55    60    68    70.00000  120.00000
   55    61    69    75.00000  111.00000
   60    38    42    63.00000  120.00000
   60    68    79    75.00000  111.00000
   68    79    80    35.00000  109.50000
   68    79    81    35.00000  109.50000
   68    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   61    55    60    70.00000  120.00000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    49    55    70.00000  120.00000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   47    42    45    70.00000  120.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    48    54    60.00000  119.52600
   43    48    83    60.00000  119.52600
   48    43    44    75.00000  123.78400
   48    54    57    63.00000  120.00000
   48    54    58    70.00000  120.00000
   48    83    73    63.00000  120.00000
   48    83    89    70.00000  120.00000
   54    57    66    63.00000  120.00000
   54    57    67    70.00000  120.00000
   54    58    59    35.00000  113.00000
   57    66    73    63.00000  120.00000
   57    66    74    70.00000  120.00000
   57    67    75    75.00000  111.00000
   66    73    83    63.00000  120.00000
   66    73    84    70.00000  120.00000
   66    74    85    75.00000  111.00000
   73    83    89    70.00000  120.00000
   73    84    90    75.00000  111.00000
   83    48    54    63.00000  120.00000
   83    89    94    75.00000  111.00000
   89    94    95    35.00000  109.50000
   89    94    96    35.00000  109.50000
   89    94    97    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   84    73    83    70.00000  120.00000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   74    66    73    70.00000  120.00000
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   67    57    66    70.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   58    54    57    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    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   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    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
   33    38    42    45   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    60    55   3.62500 -1.0 2.0
   33    38    60    68   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    48   0.05850 -1.0 2.0
   33    39    43    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   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    43  -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    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    42    45    46   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   38    42    47    50   1.63200 -1.0 2.0
   38    60    68    79   1.63200 -1.0 2.0
   42    38    60    55   3.62500 -1.0 2.0
   42    38    60    68   3.62500 -1.0 2.0
   42    45   -49    55   3.62500 -1.0 2.0
   42    45    49    56   3.62500 -1.0 2.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52   0.08050  1.0 3.0
   42    47    50    53   0.08050  1.0 3.0
   45    42    47    50   1.63200 -1.0 2.0
   45    49    55    60   3.62500 -1.0 2.0
   45    49    55    61   3.62500 -1.0 2.0
   45    49    56    62   1.63200 -1.0 2.0
   46    45    49    55   3.62500 -1.0 2.0
   46    45    49    56   3.62500 -1.0 2.0
   49    55   -60    38   3.62500 -1.0 2.0
   49    55    60    68   3.62500 -1.0 2.0
   49    55    61    69   1.63200 -1.0 2.0
   49    56    62    63   0.08050  1.0 3.0
   49    56    62    64   0.08050  1.0 3.0
   49    56    62    65   0.08050  1.0 3.0
   55    49    56    62   1.63200 -1.0 2.0
   55    60    68    79   1.63200 -1.0 2.0
   55    61    69    70   0.08050  1.0 3.0
   55    61    69    71   0.08050  1.0 3.0
   55    61    69    72   0.08050  1.0 3.0
   60    38   -42    45   3.62500 -1.0 2.0
   60    38    42    47   3.62500 -1.0 2.0
   60    55    61    69   1.63200 -1.0 2.0
   60    68    79    80   0.08050  1.0 3.0
   60    68    79    81   0.08050  1.0 3.0
   60    68    79    82   0.08050  1.0 3.0
   61    55    60    38   3.62500 -1.0 2.0
   61    55    60    68   3.62500 -1.0 2.0
   56    49    55    60   3.62500 -1.0 2.0
   56    49    55    61   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    49   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    43    48    54   2.26350  1.0 1.0
   39    43    48    54   0.76750 -1.0 2.0
   39    43    48    54   0.22500  1.0 3.0
   39    43    48    83   2.26350  1.0 1.0
   39    43    48    83   0.76750 -1.0 2.0
   39    43    48    83   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    48   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    48   0.00000  1.0 1.0
   43    48    54    57   3.62500 -1.0 2.0
   43    48    54    58   3.62500 -1.0 2.0
   43    48    83    73   3.62500 -1.0 2.0
   43    48    83    89   3.62500 -1.0 2.0
   44    43    48    54   1.05000 -1.0 2.0
   44    43    48    83   1.05000 -1.0 2.0
   48    54    57    66   3.62500 -1.0 2.0
   48    54    57    67   3.62500 -1.0 2.0
   48    54    58    59   0.84100 -1.0 2.0
   48    83    89    94   1.63200 -1.0 2.0
   54    48    83    73   3.62500 -1.0 2.0
   54    48    83    89   3.62500 -1.0 2.0
   54    57   -66    73   3.62500 -1.0 2.0
   54    57    66    74   3.62500 -1.0 2.0
   54    57    67    75   1.63200 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    66    73    83   3.62500 -1.0 2.0
   57    66    73    84   3.62500 -1.0 2.0
   57    66    74    85   1.63200 -1.0 2.0
   57    67    75    76   0.08050  1.0 3.0
   57    67    75    77   0.08050  1.0 3.0
   57    67    75    78   0.08050  1.0 3.0
   66    57    67    75   1.63200 -1.0 2.0
   66    73   -83    48   3.62500 -1.0 2.0
   66    73    83    89   3.62500 -1.0 2.0
   66    73    84    90   1.63200 -1.0 2.0
   66    74    85    86   0.08050  1.0 3.0
   66    74    85    87   0.08050  1.0 3.0
   66    74    85    88   0.08050  1.0 3.0
   73    66    74    85   1.63200 -1.0 2.0
   73    83    89    94   1.63200 -1.0 2.0
   73    84    90    91   0.08050  1.0 3.0
   73    84    90    92   0.08050  1.0 3.0
   73    84    90    93   0.08050  1.0 3.0
   83    48   -54    57   3.62500 -1.0 2.0
   83    48    54    58   3.62500 -1.0 2.0
   83    73    84    90   1.63200 -1.0 2.0
   83    89    94    95   0.08050  1.0 3.0
   83    89    94    96   0.08050  1.0 3.0
   83    89    94    97   0.08050  1.0 3.0
   84    73    83    48   3.62500 -1.0 2.0
   84    73    83    89   3.62500 -1.0 2.0
   74    66    73    83   3.62500 -1.0 2.0
   74    66    73    84   3.62500 -1.0 2.0
   67    57    66    73   3.62500 -1.0 2.0
   67    57    66    74   3.62500 -1.0 2.0
   58    54    57    66   3.62500 -1.0 2.0
   58    54    57    67   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    60    38    33   4.00000 -1.0 2.0
   45    47    42    38   4.00000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   55    56    49    45   4.00000 -1.0 2.0
   60    61    55    49   4.00000 -1.0 2.0
   55    68    60    38   4.00000 -1.0 2.0
   39    48    43    44  10.50000 -1.0 2.0
   54    83    48    43   4.00000 -1.0 2.0
   57    58    54    48   4.00000 -1.0 2.0
   66    67    57    54   4.00000 -1.0 2.0
   73    74    66    57   4.00000 -1.0 2.0
   83    84    73    66   4.00000 -1.0 2.0
   73    89    83    48   4.00000 -1.0 2.0
END
