* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    159    242     464
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02157    74.96357   -90.46746
    3     1 S   H    _H1_     3     1.02035   101.68983    15.95488
    4     1 S   H    _H2_     4     1.02052    39.35967   121.26010
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.83929    97.60437   180.00000
   34    33 S   HC   _H3_    37     1.09548   106.23434    35.78930
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.53046   107.33602   -80.06223
   39    38 S   HC   _H46    39     1.09498   112.13983   -65.62175
   40    38 S   HC   _H47    40     1.09648   111.33047   173.12268
   41    38 S   HC   _H48    41     1.09452   110.85834    54.85414
   42    33 S   CT   _C24    42     1.55114   111.27403   155.03220
   43    42 S   CO4  _C14    43     1.52972   112.71071   -57.23907
   44    43 S   O    _O24    44     1.22566   124.17906   115.36287
   45    42 S   CT   _C22    82     1.53402   112.28198  -179.37006
   46    45 S   HC   _H49    83     1.09480   111.76388   -55.22058
   47    45 S   HC   _H50    84     1.09462   111.59120    66.90893
   48    45 S   HC   _H51    85     1.09696   110.69085  -175.24725
   49    42 S   OH   _O27    86     1.42637   110.23017    62.46702
   50    49 S   HO   _H53    87     0.96933   106.48162   -62.95819
   51    43 S   OS   _O29    45     1.36973   110.70516   -64.23210
   52    51 S   CT   _C16    46     1.43341   115.95503   179.65793
   53    52 S   HC   _H36    47     1.07411   108.70389    29.96736
   54    52 S   CT   _C15    48     1.53063   109.29539   -88.83898
   55    54 S   HC   _H35    49     1.10772   107.08986   163.46423
   56    54 S   CA   _C7_    50     1.50986   110.75129   -75.22517
   57    54 S   OS   _O28    75     1.42580   107.79677    49.13780
   58    56 S   CA   _C8_    51     1.40279   120.00205   -17.88746
   59    57 S   CO4  _C13    76     1.36588   115.74930   114.69592
   60    59 S   O    _O23    77     1.22388   126.09961    -0.06561
   61    58 S   CA   _C5_    52     1.40049   120.64481   179.62518
   62    61 S   HA   _H32    53     1.08693   120.20465  -177.94300
   63    58 S   OS   _O26    65     1.37146   124.40988     0.12195
   64    59 S   CT   _C18    78     1.49776   109.81725   179.96574
   65    64 S   HC   _H37    79     1.09267   109.82773   -89.99557
   66    64 S   HC   _H38    80     1.09352   109.85231   148.06895
   67    64 S   HC   _H39    81     1.09326   109.38117    29.04224
   68    61 S   CA   _C4_    54     1.39479   120.55074     1.78301
   69    68 S   HA   _H31    55     1.08672   119.19183  -179.54716
   70    52 S   CT   _C17    66     1.53904   109.04947   149.32602
   71    68 S   CA   _C6_    56     1.39377   119.87053     0.35608
   72    70 S   CT   _C19    67     1.53716   112.53535  -174.67057
   73    72 S   HC   _H40    68     1.08446   109.20250  -179.98022
   74    72 S   HC   _H41    69     1.08496   109.20886    59.98956
   75    72 S   HC   _H42    70     1.08525   109.17166   -59.96285
   76    70 S   CT   _C20    71     1.53785   110.34452   -53.78602
   77    76 S   HC   _H43    72     1.08499   109.34507  -179.97202
   78    76 S   HC   _H44    73     1.08535   109.37772    59.94231
   79    76 S   HC   _H45    74     1.08592   109.30826   -60.05521
   80    56 S   CA   _C9_    57     1.40448   122.46319   165.10451
   81    80 S   OS   _O25    58     1.41549   118.49174     0.49693
   82    81 S   CO4  _C12    59     1.39074   122.73409  -179.72305
   83    82 S   O    _O22    60     1.22610   122.10421   179.72164
   84    82 S   CM   _C11    61     1.47179   116.53276    -0.20367
   85    84 S   HC   _H34    62     1.08402   117.54863   179.70591
   86    71 S   CM   _C10    63     1.45334   121.65081   178.88057
   87    86 S   HC   _H33    64     1.08535   118.94526     0.88669
  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  10   5   4   3
  15   8   2   1   1   7   3   2   1  10  12   4   6   3   2   1
   2   1  10  18   8  15   6  13   9  11   5   4   8   4  11   3
   2   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6
   5   5   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    45    46    47    48    49    50  
   38    39    40    41    42    43    45    49  
   36    37  
   37  
    0  
   39    40    41    42    43    45    49  
   40    41    42  
   41    42  
   42  
   43    44    51    52    45    46    47    48    49    50  
   44    51    52    53    54    70    45    46    47    48    49    50  
   51    52    45    49  
   46    47    48    49    50    51  
   47    48    49  
   48    49  
   49  
   50    51  
    0  
   52    53    54    55    56    63    70    72    76    57  
   53    54    55    56    58    80    63    70    72    73    74    75    76    77    78    79    57    59  
   54    55    56    63    70    72    76    57  
   55    56    58    61    71    80    81    63    70    72    76    57    59    60    64  
   56    58    80    70    57    59  
   58    61    62    68    71    80    81    82    86    63    70    57    59  
   59    60    64    65    66    67    58    70    80  
   61    62    68    69    71    80    81    63    70    72    76  
   60    64    65    66    67  
   64    65    66    67  
   62    68    69    71    80    86    63    70  
   68    69    71    63  
   70    72    73    74    75    76    77    78    79    68    80  
   65    66    67  
   66    67  
   67  
    0  
   69    71    80    81    84    86    87  
   71    80    86  
   72    73    74    75    76    77    78    79  
   80    81    82    84    85    86    87  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    86    87  
   82    83    84    85    86  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   317.000  1.522
   42    45   268.000  1.529
   42    49   320.000  1.410
   43    44   570.000  1.229
   43    51   214.000  1.327
   51    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    70   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    57   320.000  1.410
   56    58   469.000  1.400
   56    80   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    80   469.000  1.400
   71    86   320.000  1.460
   80    81   450.000  1.364
   81    82   214.000  1.327
   82    83   570.000  1.229
   82    84   320.000  1.462
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   340.000  1.080
   63    70   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   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    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    63.00000  111.10000
   33    42    45    58.35000  112.70000
   33    42    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    43    44    80.00000  120.40000
   42    43    51    81.00000  111.40000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   43    51    52    83.00000  116.90000
   51    43    44    83.00000  123.40000
   51    52    53    35.00000  109.50000
   51    52    54    50.00000  109.50000
   51    52    70    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    70.00000  112.17500
   52    54    57    50.00000  109.50000
   52    70    63    50.00000  109.50000
   52    70    72    58.35000  112.70000
   52    70    76    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    56    58    70.00000  120.00000
   54    56    80    70.00000  120.00000
   54    57    59    83.00000  116.90000
   56    54    55    35.00000  109.50000
   56    58    61    63.00000  120.00000
   56    58    63    70.00000  120.00000
   56    80    71    63.00000  120.00000
   56    80    81    70.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    63    70    75.00000  111.00000
   61    68    69    35.00000  120.00000
   61    68    71    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    71    86    60.00000  120.93500
   71    68    69    35.00000  120.00000
   71    80    81    70.00000  120.00000
   71    86    84    60.00000  123.20500
   71    86    87    40.00000  117.26300
   80    56    58    63.00000  120.00000
   80    81    82    85.00000  115.98000
   81    82    83    83.00000  123.40000
   81    82    84    90.00000  111.29400
   82    84    85    40.00000  117.72500
   82    84    86    65.00000  118.96000
   84    82    83    80.00000  123.72100
   84    86    87    35.00000  120.00000
   86    71    80    60.00000  120.93500
   86    84    85    35.00000  120.00000
   63    58    61    70.00000  120.00000
   63    70    72    50.00000  109.50000
   63    70    76    50.00000  109.50000
   70    52    53    37.50000  110.70000
   70    52    54    58.35000  112.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    85.00000  111.85700
   57    59    60    83.00000  123.40000
   57    59    64    81.00000  111.40000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   64    59    60    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    42    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    90.00000  109.61100
   49    42    45    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    42    43    44   0.30150 -1.0 2.0
   33    42    43    51   0.36750  1.0 3.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    48   0.15000  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43  -0.11250  1.0 3.0
   34    33    42    45   0.15000  1.0 3.0
   34    33    42    49   0.23400  1.0 3.0
   38    33    42    43  -0.95700  1.0 1.0
   38    33    42    43  -0.18200 -1.0 2.0
   38    33    42    43   0.29450  1.0 3.0
   38    33    42    45   0.56750  1.0 1.0
   38    33    42    45  -0.07550 -1.0 2.0
   38    33    42    45   0.20000  1.0 3.0
   38    33    42    49   0.86500  1.0 1.0
   38    33    42    49  -0.17500 -1.0 2.0
   38    33    42    49   0.20800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    51    52   1.63150  1.0 1.0
   42    43    51    52   2.92000 -1.0 2.0
   43    42    45    46  -0.11250  1.0 3.0
   43    42    45    47  -0.11250  1.0 3.0
   43    42    45    48  -0.11250  1.0 3.0
   43    42    49    50   0.91850  1.0 1.0
   43    42    49    50   0.57950  1.0 3.0
   43    51    52    53   0.08050  1.0 3.0
   43    51    52    54  -0.25900  1.0 1.0
   43    51    52    54  -0.47000 -1.0 2.0
   43    51    52    54   0.11750  1.0 3.0
   43    51    52    70  -0.25900  1.0 1.0
   43    51    52    70  -0.47000 -1.0 2.0
   43    51    52    70   0.11750  1.0 3.0
   44    43    51    52   3.00000 -1.0 2.0
   51    52    54    55   0.23400  1.0 3.0
   51    52    54    56  -0.64350  1.0 1.0
   51    52    54    56  -0.04200 -1.0 2.0
   51    52    54    56   0.19800  1.0 3.0
   51    52    54    57   1.11900  1.0 1.0
   51    52    54    57  -1.16350 -1.0 2.0
   51    52    54    57  -0.34150  1.0 3.0
   51    52    70    63   1.11900  1.0 1.0
   51    52    70    63  -1.16350 -1.0 2.0
   51    52    70    63  -0.34150  1.0 3.0
   51    52    70    72   0.62750  1.0 1.0
   51    52    70    72  -0.30950 -1.0 2.0
   51    52    70    72   0.27300  1.0 3.0
   51    52    70    76   0.62750  1.0 1.0
   51    52    70    76  -0.30950 -1.0 2.0
   51    52    70    76   0.27300  1.0 3.0
   52    54    56    58   0.04150 -1.0 2.0
   52    54    56    80   0.04150 -1.0 2.0
   52    54    57    59  -0.25900  1.0 1.0
   52    54    57    59  -0.47000 -1.0 2.0
   52    54    57    59   0.11750  1.0 3.0
   52    70    72    73   0.15000  1.0 3.0
   52    70    72    74   0.15000  1.0 3.0
   52    70    72    75   0.15000  1.0 3.0
   52    70    76    77   0.15000  1.0 3.0
   52    70    76    78   0.15000  1.0 3.0
   52    70    76    79   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.43200  1.0 3.0
   53    52    54    57   0.23400  1.0 3.0
   53    52    70    63   0.23400  1.0 3.0
   53    52    70    72   0.15000  1.0 3.0
   53    52    70    76   0.15000  1.0 3.0
   54    52    70    63   0.62750  1.0 1.0
   54    52    70    63  -0.30950 -1.0 2.0
   54    52    70    63   0.27300  1.0 3.0
   54    52    70    72   0.56750  1.0 1.0
   54    52    70    72  -0.07550 -1.0 2.0
   54    52    70    72   0.20000  1.0 3.0
   54    52    70    76   0.56750  1.0 1.0
   54    52    70    76  -0.07550 -1.0 2.0
   54    52    70    76   0.20000  1.0 3.0
   54    56    58    61   3.62500 -1.0 2.0
   54    56   -58    63   3.62500 -1.0 2.0
   54    56    80    71   3.62500 -1.0 2.0
   54    56    80    81   3.62500 -1.0 2.0
   54    57    59    60   3.00000 -1.0 2.0
   54    57    59    64   1.63150  1.0 1.0
   54    57    59    64   2.92000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    80   0.00000  1.0 1.0
   55    54    57    59   0.08050  1.0 3.0
   56    54    57    59  -0.43900 -1.0 2.0
   56    54    57    59   0.14100  1.0 3.0
   56    58    61    62   3.62500 -1.0 2.0
   56    58    61    68   3.62500 -1.0 2.0
   56    58    63    70   1.63200 -1.0 2.0
   56    80    81    82   0.01300  1.0 1.0
   56    80    81    82   0.97950 -1.0 2.0
   56    80    81    82  -0.55700  1.0 3.0
   58    56    80    71   3.62500 -1.0 2.0
   58    56    80    81   3.62500 -1.0 2.0
   58    61    68    69   3.62500 -1.0 2.0
   58    61   -68    71   3.62500 -1.0 2.0
   58    63   -70    52  -0.32850  1.0 1.0
   58    63   -70    52  -0.35800 -1.0 2.0
   58    63   -70    52   0.33950  1.0 3.0
   58    63    70    72  -0.32850  1.0 1.0
   58    63    70    72  -0.35800 -1.0 2.0
   58    63    70    72   0.33950  1.0 3.0
   58    63    70    76  -0.32850  1.0 1.0
   58    63    70    76  -0.35800 -1.0 2.0
   58    63    70    76   0.33950  1.0 3.0
   61    58    63    70   1.63200 -1.0 2.0
   61    68    71    80   3.62500 -1.0 2.0
   61    68    71    86   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    71   3.62500 -1.0 2.0
   68    71   -80    56   3.62500 -1.0 2.0
   68    71    80    81   3.62500 -1.0 2.0
   68    71    86    84   0.15800  1.0 1.0
   68    71    86    84   1.85350 -1.0 2.0
   68    71    86    84  -0.48700  1.0 3.0
   68    71    86    87   0.56550  1.0 3.0
   69    68    71    80   3.62500 -1.0 2.0
   69    68    71    86   3.62500 -1.0 2.0
   71    80    81    82   0.01300  1.0 1.0
   71    80    81    82   0.97950 -1.0 2.0
   71    80    81    82  -0.55700  1.0 3.0
   80    56   -58    61   3.62500 -1.0 2.0
   80    56    58    63   3.62500 -1.0 2.0
   80    71    86    84   0.15800  1.0 1.0
   80    71    86    84   1.85350 -1.0 2.0
   80    71    86    84  -0.48700  1.0 3.0
   80    71    86    87   0.56550  1.0 3.0
   80    81    82    83   3.00000 -1.0 2.0
   80    81   -82    84   2.00000 -1.0 2.0
   81    82    84    85   1.63100 -1.0 2.0
   81    82    84    86  -0.56150  1.0 1.0
   81    82    84    86   2.19150 -1.0 2.0
   82    84   -86    71   7.00000 -1.0 2.0
   82    84    86    87   7.00000 -1.0 2.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   1.00000 -1.0 2.0
   85    84    86    71   7.00000 -1.0 2.0
   85    84    86    87   7.00000 -1.0 2.0
   86    71    80    56   3.62500 -1.0 2.0
   86    71   -80    81   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    68   3.62500 -1.0 2.0
   63    70    72    73   0.23400  1.0 3.0
   63    70    72    74   0.23400  1.0 3.0
   63    70    72    75   0.23400  1.0 3.0
   63    70    76    77   0.23400  1.0 3.0
   63    70    76    78   0.23400  1.0 3.0
   63    70    76    79   0.23400  1.0 3.0
   70    52    54    55   0.15000  1.0 3.0
   70    52   -54    56  -0.03700  1.0 1.0
   70    52   -54    56   0.37200 -1.0 2.0
   70    52   -54    56  -0.47300  1.0 3.0
   70    52    54    57   0.62750  1.0 1.0
   70    52    54    57  -0.30950 -1.0 2.0
   70    52    54    57   0.27300  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   57    54    56    58   0.64500  1.0 1.0
   57    54    56    58   0.14800 -1.0 2.0
   57    54    56    58   0.20650  1.0 3.0
   57    54    56    80   0.64500  1.0 1.0
   57    54    56    80   0.14800 -1.0 2.0
   57    54    56    80   0.20650  1.0 3.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.00000  1.0 1.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    67   0.00000  1.0 1.0
   45    42    43    44   0.30150 -1.0 2.0
   45    42    43    51   0.36750  1.0 3.0
   45    42    49    50  -0.11600  1.0 1.0
   45    42    49    50  -0.09450 -1.0 2.0
   45    42    49    50   0.21250  1.0 3.0
   49    42    43    44   0.30150 -1.0 2.0
   49    42    43    51   0.30750  1.0 1.0
   49    42    43    51   1.13850 -1.0 2.0
   49    42    43    51   0.38850  1.0 3.0
   49    42    45    46   0.23400  1.0 3.0
   49    42    45    47   0.23400  1.0 3.0
   49    42    45    48   0.23400  1.0 3.0
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
   42    51    43    44  10.50000 -1.0 2.0
   58    80    56    54   4.00000 -1.0 2.0
   61    63    58    56   4.00000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   71    69    68    61   1.10000 -1.0 2.0
   80    86    71    68   4.00000 -1.0 2.0
   71    81    80    56   4.00000 -1.0 2.0
   81    84    82    83  10.50000 -1.0 2.0
   82    85    84    86   1.10000 -1.0 2.0
   71    87    86    84   1.10000 -1.0 2.0
   57    64    59    60  10.50000 -1.0 2.0
END
