* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    171    273     495
    1     0 S   NP   _N1_     1    28.43321    96.51875   -20.20794
    2     1 S   H    _HN1     2     1.02786    80.24233   -67.50232
    3     1 S   H    _H1_     3     1.02958    84.69002    42.11843
    4     1 S   H    _H2_     4     1.02840    43.84151   163.58566
    5     1 S   CT   _CA1     5     1.50077   154.47768   170.48153
    6     5 S   HC   _HA1     6     1.09564   105.31179    54.11028
    7     5 S   CO3  _C1_     7     1.53786   112.38543   -66.33690
    8     7 S   O2Z  _O11     8     1.26366   115.08795   -44.75262
    9     7 S   O2Z  _O12     9     1.26236   114.97984   134.91789
   10     5 S   CT   _CB1    10     1.53119   107.46881   172.19262
   11    10 S   HC   HB11    11     1.09821   109.49390   -49.64824
   12    10 S   HC   HB12    12     1.09828   110.34326    66.92589
   13    10 S   CT   _CG1    13     1.53026   112.67214  -170.73378
   14    13 S   HC   HG11    14     1.09451   110.51743   -59.42938
   15    13 S   HC   HG12    15     1.09631   110.06710    59.66532
   16    13 S   C    _CD1    16     1.51750   112.16472   179.84051
   17    16 S   O    _OE1    17     1.22742   123.11529   -10.65784
   18    16 S   N    _N2_    18     1.38612   111.82772   169.91720
   19    18 S   H    _HN2    19     1.01610   119.18696     1.43053
   20    18 S   CT1  _CA2    20     1.45871   122.77361   178.01801
   21    20 S   HC   _HA2    21     1.09573   110.14021   -10.23289
   22    20 S   C    _C2_    22     1.52527   104.34958  -127.53866
   23    22 S   O    _O2_    23     1.22991   122.43955   -84.23383
   24    20 S   CT   _CB2    32     1.53471   112.10881   113.06383
   25    24 S   HC   HB21    33     1.09378   110.51380    52.05095
   26    24 S   HC   HB22    34     1.09404   108.35825   170.91719
   27    22 S   N    _N3_    24     1.38384   112.90107    91.03588
   28    27 S   H    _HN3    25     1.01671   120.31256     1.97219
   29    24 S   S    _SG2    35     1.82787   110.95961   -69.82332
   30    27 S   CT   _CA3    26     1.45343   122.48206  -178.28479
   31    30 S   HC   HA31    27     1.09559   107.31456   -67.12643
   32    30 S   HC   HA32    28     1.09568   108.14024    49.23241
   33    29 S   CT   _C17    36     1.88844   103.28219   170.30927
   34    30 S   CO3  _C3_    29     1.52865   114.41267   171.28418
   35    34 S   O2Z  _O31    30     1.26305   116.09694    -2.76654
   36    34 S   O2Z  _O32    31     1.26459   114.37035   177.46078
   37    33 S   CT   _C18    37     1.56370   105.19111   170.00926
   38    37 S   HC   _H16    38     1.09508   110.53015    56.77728
   39    37 S   HC   _H17    39     1.09435   110.60237   173.92759
   40    33 S   CT   _C19    81     1.55893   110.18640   -70.36905
   41    40 S   HC   _H18    82     1.09701   111.25115  -176.32198
   42    40 S   HC   _H19    83     1.09658   111.58097    65.62834
   43    37 S   S    _S2_    40     1.83822   116.95539   -63.23937
   44    40 S   NAP  _N9_    84     1.48942   115.05270   -57.00783
   45    43 S   C4T  _C14    41     1.81839    97.43071   -53.59759
   46    45 S   HC   _H4_    42     1.09463   114.39943   -81.35555
   47    44 S   CA   _C20    85     1.35389   119.86511   -87.99003
   48    47 S   HA   _H20    86     1.08395   117.17461     2.42487
   49    45 S   C4T  _C13    43     1.55580   116.23631   142.65428
   50    49 S   HC   _H3_    44     1.09633   113.16574   134.98707
   51    45 S   N4   _N8_    47     1.45153   109.39571    46.51414
   52    47 S   CA   _C21    87     1.38858   121.10035  -177.56361
   53    52 S   HA   _H21    88     1.08535   120.38232  -179.04427
   54    49 S   C4   _C15    45     1.55355    85.21494  -112.06253
   55    54 S   O    _O37    46     1.20882   136.80173  -179.97202
   56    33 S   CT1  _C16    48     1.56627   110.89958    50.35871
   57    56 S   HC   _H5_    49     1.09495   109.80854   -48.36353
   58    49 S   N    _N7_    53     1.47595   117.39258     2.11674
   59    58 S   H    _H15    54     1.01768   119.19310   -12.27613
   60    52 S   CA   _C22    89     1.38693   119.15350     1.56223
   61    60 S   HA   _H22    90     1.08629   120.42192   179.73756
   62    56 S   CO3  _C25    50     1.55014   114.26052  -165.53485
   63    62 S   O2Z  _O39    51     1.26190   116.12917   -62.05356
   64    62 S   O2Z  _O38    52     1.26412   114.56134   116.76613
   65    58 S   C    _C12    55     1.37819   122.69932   170.70563
   66    65 S   O    _O36    56     1.22025   128.48172    -2.92081
   67    60 S   CA   _C23    91     1.38702   119.41364     0.61992
   68    67 S   HA   _H23    92     1.08474   120.28900   178.27910
   69    65 S   CD   _C8_    57     1.50560   112.55070   176.95136
   70    44 S   CA   _C24    93     1.35285   119.92626    97.73858
   71    70 S   HA   _H24    94     1.08306   117.30340    -2.26001
   72    69 S   C5B  _C9_    58     1.45144   119.96524    94.06825
   73    69 S   NI   _N4_    67     1.29750   121.42677   -85.01406
   74    72 S   C5A  _C10    59     1.38199   125.41864   178.37237
   75    74 S   HA   _H12    60     1.08135   128.77006    -0.28393
   76    73 S   OS   _O35    68     1.40457   111.19908    -1.53200
   77    74 S   SA   _S1_    61     1.71092   110.15411   179.76510
   78    76 S   CT   _C5_    69     1.43836   110.37343   174.41433
   79    77 S   CRA  _C11    62     1.72302    89.91163    -0.04423
   80    78 S   CO3  _C7_    70     1.55193   109.20704    60.70019
   81    80 S   O2Z  _O34    71     1.26599   115.68184    53.70213
   82    80 S   O2Z  _O33    72     1.26478   115.71705  -126.26316
   83    78 S   CT   _C4_    73     1.52887   109.87695   -66.70076
   84    83 S   HC   _H6_    74     1.09571   110.87651   -51.01981
   85    83 S   HC   _H7_    75     1.09532   111.60994  -172.25271
   86    83 S   HC   _H8_    76     1.09578   111.46059    67.41774
   87    78 S   CT   _C6_    77     1.53156   106.21952   175.22656
   88    87 S   HC   _H9_    78     1.09618   110.68554    61.66405
   89    87 S   HC   _H10    79     1.09633   111.69895   -55.96131
   90    87 S   HC   _H11    80     1.09528   111.69367  -177.27473
   91    72 S   N5B  _N5_    63     1.38774   120.16273    -1.97952
   92    79 S   NE   _N6_    64     1.34644   120.36062  -179.96574
   93    92 S   H    _H13    65     1.01410   121.45837  -179.91607
   94    92 S   H    _H14    66     1.01396   121.99855    -0.07133
  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  13   5   4   3
  18   2   1   1  14   5   4  14   5   4   8  10  12   6   8   4
  10   6   8   6   3   7   2   4   3   6   3   5   3   2   1   1
   7   3   3   2   9   1   1   8   7   5   3  12   5  11   4  10
   3   2   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    62    63    64    40    41    42    44    47    70  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    62    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    67    70    71    43    51    56    57    62  
   42    44    47    70    56  
   44    47    70    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    67    68    70    71    56  
   46    49    50    54    55    51    56    57    62    58    59    65  
   49    50    54    51    56    58  
   48    52    53    60    61    67    70    71  
   52    53    60    70  
   50    54    55    51    56    58    59    65    66    69  
   54    55    51    58    59    65  
   56    57    62    63    64    58    54    55  
   53    60    61    67    68    70  
   60    61    67  
   55    56    57    62    58    59    65  
   56    58  
   57    62    63    64  
   62    63    64  
   59    65    66    69    72    73  
   65    66    69  
   61    67    68    70    71  
   67    68    70  
   63    64  
   64  
    0  
   66    69    72    74    91    73    76  
   69    72    73  
   68    70    71  
   70    71  
   72    74    75    77    79    91    73    76    78  
   71  
    0  
   74    75    77    79    91    92    73    76  
   76    78    80    83    87    74    91  
   75    77    79    91    92  
   77    79    91  
   78    80    81    82    83    84    85    86    87    88    89    90  
   79    91    92    93    94  
   80    81    82    83    84    85    86    87    88    89    90  
   91    92    93    94  
   81    82    83    84    85    86    87    88    89    90  
   82    83    87  
   83    87  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   73   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   74   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   92   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.360000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    69   270.000  1.486
   69    72   305.000  1.466
   69    73   500.000  1.261
   72    74   520.000  1.370
   72    91   410.000  1.394
   74    75   367.000  1.080
   74    77   265.000  1.745
   77    79   250.000  1.765
   79    91   488.000  1.335
   79    92   420.000  1.385
   92    93   434.000  1.010
   92    94   434.000  1.010
   73    76   320.000  1.394
   76    78   320.000  1.410
   78    80   317.000  1.522
   78    83   268.000  1.529
   78    87   268.000  1.529
   80    81   656.000  1.250
   80    82   656.000  1.250
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   280.000  1.457
   44    47   485.000  1.342
   44    70   485.000  1.342
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    71   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  109.47200
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    65    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    62    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   62    56    57    35.00000  109.50000
   64    62    63    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    65    66    80.00000  122.90000
   58    65    69    75.00000  109.57000
   65    58    59    35.00000  119.80000
   65    69    72    75.00000  114.44000
   65    69    73    65.00000  123.79500
   69    65    66    80.00000  120.45000
   69    72    74    60.00000  121.09900
   69    72    91    60.00000  126.00000
   69    73    76   100.00000  109.52600
   72    74    75    35.00000  130.70000
   72    74    77    80.00000  111.29200
   72    91    79    70.00000  110.00000
   74    77    79   120.00000   89.04400
   77    74    75    40.00000  122.38200
   77    79    91    80.00000  114.57700
   77    79    92    70.00000  122.29500
   79    92    93    35.00000  113.50000
   79    92    94    35.00000  113.50000
   91    72    74    70.00000  111.00000
   92    79    91    75.00000  125.31200
   94    92    93    35.00000  109.00000
   73    69    72    65.00000  124.33800
   73    76    78   110.00000  106.71400
   76    78    80    85.00000  109.63000
   76    78    83    50.00000  109.50000
   76    78    87    50.00000  109.50000
   78    80    81    70.00000  117.00000
   78    80    82    70.00000  117.00000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   78    87    88    37.50000  110.70000
   78    87    89    37.50000  110.70000
   78    87    90    37.50000  110.70000
   82    80    81    80.00000  126.00000
   83    78    80    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    80    70.00000  109.69300
   87    78    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    70.00000  119.18700
   40    44    70    70.00000  119.18700
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  106.41000
   44    40    42    50.00000  106.41000
   44    47    48    45.00000  112.84900
   44    47    52    70.00000  119.29800
   44    70    67    70.00000  119.29800
   44    70    71    45.00000  112.84900
   47    52    53    35.00000  120.00000
   47    52    60    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    71    35.00000  120.00000
   70    44    47    70.00000  123.81700
   70    67    68    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62  -2.17200  1.0 1.0
   29    33    56    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    62    63   0.00000  1.0 1.0
   33    56    62    64   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   33    40    44    70   0.00000  1.0 1.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62  -0.84850  1.0 1.0
   37    33    56    62  -0.22800 -1.0 2.0
   37    33    56    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    65  -0.43950  1.0 1.0
   45    49    58    65  -0.08100 -1.0 2.0
   45    49    58    65   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    62   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    65    66   3.04450 -1.0 2.0
   49    58    65    69   1.49850  1.0 1.0
   49    58    65    69   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    65   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    65  -0.42300  1.0 1.0
   54    49    58    65  -0.07000 -1.0 2.0
   54    49    58    65   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    62   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.56750  1.0 1.0
   56    33    40    44  -0.07550 -1.0 2.0
   56    33    40    44   0.20000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    65    69    72   1.50000 -1.0 2.0
   58    65    69    73   1.50000 -1.0 2.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    69   2.56700 -1.0 2.0
   65    69    72    74   0.30050 -1.0 2.0
   65    69    72    74   0.16600  1.0 3.0
   65    69    72    91   0.30050 -1.0 2.0
   65    69    72    91   0.16600  1.0 3.0
   65    69    73    76   6.00000 -1.0 2.0
   66    65    69    72   1.00000 -1.0 2.0
   66    65    69    73   1.00000 -1.0 2.0
   69    72    74    75   3.62500 -1.0 2.0
   69    72    74    77   3.62500 -1.0 2.0
   69    72    91    79   3.62500 -1.0 2.0
   69    73    76    78   1.50000 -1.0 2.0
   72    69    73    76   6.00000 -1.0 2.0
   72    74   -77    79   3.62500 -1.0 2.0
   74    72   -91    79   2.40000 -1.0 2.0
   74    77   -79    91   3.62500 -1.0 2.0
   74    77    79    92   3.62500 -1.0 2.0
   75    74    77    79   3.62500 -1.0 2.0
   77    79   -91    72   3.62500 -1.0 2.0
   77    79    92    93   0.47600 -1.0 2.0
   77    79    92    94   0.47600 -1.0 2.0
   91    72    74    75   3.62500 -1.0 2.0
   91    72   -74    77   3.62500 -1.0 2.0
   91    79    92    93   1.75000 -1.0 2.0
   91    79    92    94   1.75000 -1.0 2.0
   92    79    91    72   3.62500 -1.0 2.0
   73    69    72    74   1.02250 -1.0 2.0
   73    69    72    91   1.02250 -1.0 2.0
   73    76    78    80   0.37500  1.0 3.0
   73    76    78    83   0.37500  1.0 3.0
   73    76    78    87   0.37500  1.0 3.0
   76    78    80    81   0.30150 -1.0 2.0
   76    78    80    82   0.30150 -1.0 2.0
   76    78    83    84   0.23400  1.0 3.0
   76    78    83    85   0.23400  1.0 3.0
   76    78    83    86   0.23400  1.0 3.0
   76    78    87    88   0.23400  1.0 3.0
   76    78    87    89   0.23400  1.0 3.0
   76    78    87    90   0.23400  1.0 3.0
   80    78    83    84  -0.11250  1.0 3.0
   80    78    83    85  -0.11250  1.0 3.0
   80    78    83    86  -0.11250  1.0 3.0
   80    78    87    88  -0.11250  1.0 3.0
   80    78    87    89  -0.11250  1.0 3.0
   80    78    87    90  -0.11250  1.0 3.0
   83    78    80    81   0.41150 -1.0 2.0
   83    78    80    82   0.41150 -1.0 2.0
   83    78    87    88   0.15000  1.0 3.0
   83    78    87    89   0.15000  1.0 3.0
   83    78    87    90   0.15000  1.0 3.0
   87    78    80    81   0.41150 -1.0 2.0
   87    78    80    82   0.41150 -1.0 2.0
   87    78    83    84   0.15000  1.0 3.0
   87    78    83    85   0.15000  1.0 3.0
   87    78    83    86   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    62  -0.84850  1.0 1.0
   40    33    56    62  -0.22800 -1.0 2.0
   40    33    56    62   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    70    67   3.62500 -1.0 2.0
   40    44    70    71   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    70   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    70   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47    52    60   3.62500 -1.0 2.0
   47    44    70    67   3.62500 -1.0 2.0
   47    44    70    71   3.62500 -1.0 2.0
   47    52    60    61   3.62500 -1.0 2.0
   47    52   -60    67   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   3.62500 -1.0 2.0
   52    60    67    68   3.62500 -1.0 2.0
   52    60    67    70   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -70    44   3.62500 -1.0 2.0
   60    67    70    71   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   68    67    70    44   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   70    44    47    48   3.62500 -1.0 2.0
   70    44   -47    52   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
   35    30    34    36  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   59    65    58    49   1.00000 -1.0 2.0
   58    69    65    66  10.50000 -1.0 2.0
   65    72    69    73  10.50000 -1.0 2.0
   74    91    72    69   4.00000 -1.0 2.0
   77    75    74    72   1.10000 -1.0 2.0
   91    92    79    77   4.00000 -1.0 2.0
   94    79    92    93   1.00000 -1.0 2.0
   81    78    80    82  10.50000 -1.0 2.0
   47    70    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   67    71    70    44   1.10000 -1.0 2.0
END
