* LIGAND DATABASE FILE (OPLS2005)
*
001      95    98    167    253     480
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02038   105.05744     2.95154
    3     1 S   H    _H1_     3     1.02113    46.05604   104.59127
    4     1 S   H    _H2_     4     1.02070    66.67249  -101.28037
    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   167.74439
   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    57.98761
   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     8.59075
   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   105.32504
   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   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.83610    97.73194   161.85933
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CO4  _C22    37     1.52544   106.79510   160.00515
   38    37 S   O    _O4_    38     1.22863   123.40260   -88.41810
   39    33 S   NTH2 _N7_    93     1.46475   109.79276    43.81410
   40    39 S   H    _H23    94     0.99509   117.87446  -160.96302
   41    39 S   H    _H24    95     0.99488   117.86980    32.44565
   42    37 S   CA   _C20    39     1.48061   117.78389    88.14457
   43    42 S   CA   _C12    40     1.38772   121.52830     7.28069
   44    43 S   CA   _C7_    41     1.39392   118.18619  -176.95695
   45    44 S   HA   _H5_    42     1.08627   121.40496   179.93147
   46    43 S   CO4  _C21    84     1.47467   121.04527     3.68812
   47    46 S   O    _O3_    85     1.22636   120.69367  -167.43951
   48    44 S   CA   _C9_    43     1.39025   119.41872    -0.60361
   49    48 S   HA   _H7_    44     1.08569   120.12934  -179.72375
   50    33 S   CT   _C23    86     1.53438   112.77437   -78.05304
   51    50 S   HC   _H8_    87     1.09957   110.26637   174.20837
   52    48 S   CA   _C18    45     1.38565   118.11091    -0.02798
   53    50 S   OS   _O8_    88     1.41864   111.20265    55.21628
   54    52 S   CA   _C19    46     1.44379   121.00856  -179.74207
   55    42 S   NB   _N5_    83     1.35350   114.72514  -170.77186
   56    53 S   CT   _C28    89     1.42193   111.62062   155.67833
   57    56 S   HC   _H18    90     1.09329   109.49198   179.97202
   58    56 S   HC   _H19    91     1.09274   109.49643    59.26723
   59    56 S   HC   _H20    92     1.09240   109.02909   -60.36704
   60    54 S   NB   _N4_    47     1.35113   113.68144    60.03515
   61    60 S   CA   _C4_    48     1.35176   116.37208  -179.96574
   62    61 S   CA   _C13    49     1.38640   124.04995    -0.08623
   63    61 S   C    _C5_    79     1.45586   114.64538   180.00000
   64    63 S   O    _O1_    80     1.23447   125.36687  -149.98662
   65    62 S   CA   _C11    50     1.39057   117.87257     0.08393
   66    62 S   CT   _C25    75     1.49355   120.55958   180.00000
   67    66 S   HC   _H9_    76     1.09560   110.31466   -89.94310
   68    66 S   HC   _H10    77     1.09674   111.11954    30.60492
   69    66 S   HC   _H11    78     1.09745   111.11896   149.51686
   70    63 S   OH   _O33    81     1.36089   112.38400    29.90435
   71    70 S   HO   _H3_    82     0.98105   113.06926  -179.86878
   72    65 S   CA   _C10    51     1.45344   119.93006   179.97202
   73    54 S   CA   _C14    71     1.38639   122.24265  -119.95726
   74    72 S   CA   _C6_    52     1.39489   119.04838   -90.00156
   75    74 S   HA   _H4_    53     1.08727   120.99594     0.11364
   76    73 S   NE   _N6_    72     1.41095   120.92399    -0.00000
   77    76 S   H    _H21    73     0.99919   119.15857   176.90889
   78    76 S   H    _H22    74     0.99952   119.14170     3.10337
   79    74 S   CA   _C8_    54     1.39563   119.95149  -179.98022
   80    79 S   HA   _H6_    55     1.08697   119.54097  -179.92867
   81    79 S   CA   _C15    56     1.39482   119.99239     0.06561
   82    81 S   CA   _C17    57     1.39424   120.01106    -0.09279
   83    81 S   OS   _O6_    66     1.36190   119.35783  -179.98022
   84    72 S   CA   _C16    58     1.39433   120.92164    90.05512
   85    82 S   OS   _O7_    61     1.36363   119.90809   179.93147
   86    83 S   CT   _C26    67     1.42613   117.05291    -0.07133
   87    86 S   HC   _H12    68     1.09353   109.57191   179.98022
   88    86 S   HC   _H13    69     1.09297   109.55014    59.18088
   89    86 S   HC   _H14    70     1.09241   109.00306   -60.40559
   90    84 S   OH   _O5_    59     1.36512   120.61385     0.04846
   91    90 S   HO   _H25    60     0.96966   110.00443  -180.00000
   92    85 S   CT   _C27    62     1.42565   116.96412    90.04381
   93    92 S   HC   _H15    63     1.09316   109.51835  -179.96574
   94    92 S   HC   _H16    64     1.09232   109.53355    59.19023
   95    92 S   HC   _H17    65     1.09276   108.97974   -60.41624
  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  11   5   4   3
  14   2   1   1  13   5   7   2   1  10  11   9   4   7   3   6
   3   6   2   7   4  11   2   3   2   1   1   9  12  13   5   2
  15   5   2   1   1   1   1  12   5   8   4   2   1   1   7   3
  10  10   6   4   5   3   2   1   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    51    53    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    55    46    47    50    51    53    56    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    52    55    46    50    51    53    39    40    41  
   42    43    55    50    39  
   40    41    42    46    50    51    53  
   41    50  
   50  
   43    44    45    48    52    54    55    46    47    50  
   44    45    48    49    52    55    46    47    50    51    53  
   45    48    49    52    54    55    46    47    50  
   48    49    52    46  
   47    50    51    53    56    48    55  
   50    51    53  
   49    52    54    60    73    55  
   52    54    55  
   51    53    56    57    58    59  
   53    56  
   54    60    61    65    73    76    55  
   56    57    58    59  
   60    61    62    65    72    73    76    77    78    63    55  
   60    73  
   57    58    59  
   58    59  
   59  
    0  
   61    62    65    73    76    66    63    64    70  
   62    65    72    73    66    67    68    69    63    64    70    71  
   65    72    74    84    73    76    66    67    68    69    63    64    70  
   64    70    71    65    66  
   70    71  
   72    74    75    79    82    84    90    73    76    77    78    66    67    68    69  
   67    68    69    72    73  
   68    69  
   69  
    0  
   71  
    0  
   74    75    79    80    81    82    84    90    91    85    73    76  
   76    77    78    74    84  
   75    79    80    81    82    84    90    83  
   79    80    81    84  
   77    78  
   78  
    0  
   80    81    82    84    85    83    86  
   81    82    83  
   82    84    90    85    92    83    86    87    88    89  
   84    90    91    85    92    93    94    95    83    86  
   86    87    88    89    84    85  
   90    91    85    92  
   92    93    94    95    90  
   87    88    89  
   88    89  
   89  
    0  
   91  
    0  
   93    94    95  
   94    95  
   95  
    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   0.347500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.407000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5500   0.0700   0.653700   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.351300   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   65   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   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    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   317.000  1.522
   33    50   268.000  1.529
   33    39   300.000  1.468
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    55   483.000  1.339
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    54   375.000  1.464
   52    55   483.000  1.339
   54    60   483.000  1.339
   54    73   469.000  1.400
   60    61   483.000  1.339
   61    62   469.000  1.400
   61    63   400.000  1.490
   62    65   469.000  1.400
   62    66   317.000  1.510
   65    72   375.000  1.464
   65    73   469.000  1.400
   72    74   469.000  1.400
   72    84   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    83   450.000  1.364
   82    84   469.000  1.400
   82    85   450.000  1.364
   84    90   450.000  1.364
   90    91   553.000  0.945
   85    92   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   83    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   73    76   481.000  1.340
   76    77   434.000  1.010
   76    78   434.000  1.010
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   63    64   570.000  1.229
   63    70   450.000  1.364
   70    71   553.000  0.945
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   495.000  1.019
   39    41   495.000  1.019
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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   33    39    40    50.00000  110.30900
   33    39    41    50.00000  110.30900
   37    42    43    60.00000  119.52600
   37    42    55    75.00000  117.56100
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    55    52    70.00000  117.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   43    46    50    65.00000  115.47100
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    54    60.00000  122.76000
   48    52    55    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    60    70.00000  116.69200
   52    54    73    60.00000  122.76000
   54    60    61    70.00000  117.00000
   54    73    65    63.00000  120.00000
   54    73    76    70.00000  120.10000
   60    61    62    70.00000  124.00000
   60    61    63    75.00000  117.56100
   61    62    65    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    64    80.00000  120.40000
   61    63    70    85.00000  111.88000
   62    65    72    60.00000  122.76000
   62    65    73    63.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   65    72    74    60.00000  122.76000
   65    72    84    60.00000  122.76000
   65    73    76    70.00000  120.10000
   72    74    75    35.00000  120.00000
   72    74    79    63.00000  120.00000
   72    84    82    63.00000  120.00000
   72    84    90    70.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    81    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    83    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    84    63.00000  120.00000
   81    82    85    70.00000  120.00000
   81    83    86    75.00000  111.00000
   82    84    90    70.00000  120.00000
   82    85    92    75.00000  111.00000
   84    72    74    63.00000  120.00000
   84    90    91    35.00000  113.00000
   85    82    84    70.00000  120.00000
   85    92    93    35.00000  109.50000
   85    92    94    35.00000  109.50000
   85    92    95    35.00000  109.50000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   83    81    82    70.00000  120.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   73    54    60    70.00000  124.00000
   73    65    72    60.00000  122.76000
   73    76    77    35.00000  113.50000
   73    76    78    35.00000  113.50000
   78    76    77    35.00000  109.00000
   66    62    65    70.00000  120.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   63    61    62    85.00000  120.00000
   63    70    71    35.00000  113.00000
   70    63    64   100.00000  123.32000
   55    42    43    70.00000  124.00000
   55    52    54    70.00000  116.69200
   46    43    44    60.00000  119.52600
   46    50    51    35.00000  109.50000
   46    50    53    90.00000  108.74100
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    53    56    60.00000  109.50000
   53    50    51    35.00000  109.50000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    75.00000  112.82000
   39    33    50    80.00000  112.76400
   41    39    40    40.00000  106.77200
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    39    40  -0.05900  1.0 1.0
   29    33    39    40   0.08350 -1.0 2.0
   29    33    39    40   0.12500  1.0 3.0
   29    33    39    41  -0.05900  1.0 1.0
   29    33    39    41   0.08350 -1.0 2.0
   29    33    39    41   0.12500  1.0 3.0
   33    37    42    43   2.26350  1.0 1.0
   33    37    42    43   0.76750 -1.0 2.0
   33    37    42    43   0.22500  1.0 3.0
   33    37    42    55   0.56600 -1.0 2.0
   33    50    53    56   0.06250  1.0 1.0
   33    50    53    56  -0.01100 -1.0 2.0
   33    50    53    56   0.28050  1.0 3.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    53  -0.09450  1.0 1.0
   37    33    50    53  -1.12950 -1.0 2.0
   37    33    50    53   0.54000  1.0 3.0
   37    33    39    40   0.21900  1.0 1.0
   37    33    39    40  -0.24900 -1.0 2.0
   37    33    39    40   0.15200  1.0 3.0
   37    33    39    41   0.21900  1.0 1.0
   37    33    39    41  -0.24900 -1.0 2.0
   37    33    39    41   0.15200  1.0 3.0
   37    42    43    44   3.62500 -1.0 2.0
   37    42   -43    46   3.62500 -1.0 2.0
   37    42    55    52   3.62500 -1.0 2.0
   38    37    42    43   1.05000 -1.0 2.0
   38    37    42    55   1.05000 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47   1.05000 -1.0 2.0
   42    43    46    50   2.26350  1.0 1.0
   42    43    46    50   0.76750 -1.0 2.0
   42    43    46    50   0.22500  1.0 3.0
   43    42    55    52   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    52   3.62500 -1.0 2.0
   43    46   -50    33   0.05850 -1.0 2.0
   43    46   -50    33   0.17250  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    53   0.65300  1.0 1.0
   43    46    50    53  -0.03850 -1.0 2.0
   43    46    50    53   0.33900  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    43    46    50   2.26350  1.0 1.0
   44    43    46    50   0.76750 -1.0 2.0
   44    43    46    50   0.22500  1.0 3.0
   44    48    52    54   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52    54    60   0.04300  1.0 1.0
   48    52    54    60   0.58850 -1.0 2.0
   48    52    54    60   0.22750  1.0 3.0
   48    52    54    73  -0.19450  1.0 1.0
   48    52    54    73   0.63300 -1.0 2.0
   48    52    54    73   0.07450  1.0 3.0
   48    52   -55    42   3.62500 -1.0 2.0
   49    48    52    54   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    54    60    61   3.62500 -1.0 2.0
   52    54    73    65   3.62500 -1.0 2.0
   52    54    73    76   3.62500 -1.0 2.0
   54    52    55    42   3.62500 -1.0 2.0
   54    60    61    62   3.62500 -1.0 2.0
   54    60    61    63   3.62500 -1.0 2.0
   54    73    76    77   1.00000 -1.0 2.0
   54    73    76    78   1.00000 -1.0 2.0
   60    54    73    65   3.62500 -1.0 2.0
   60    54    73    76   3.62500 -1.0 2.0
   60    61   -62    65   3.62500 -1.0 2.0
   60    61    62    66   3.62500 -1.0 2.0
   60    61    63    64   1.05000 -1.0 2.0
   60    61    63    70   0.78600  1.0 1.0
   60    61    63    70  -0.32500 -1.0 2.0
   61    62    65    72   3.62500 -1.0 2.0
   61    62    65    73   3.62500 -1.0 2.0
   61    62    66    67   0.00000  1.0 1.0
   61    62    66    68   0.00000  1.0 1.0
   61    62    66    69   0.00000  1.0 1.0
   61    63    70    71   2.25750  1.0 1.0
   61    63    70    71  -1.92700 -1.0 2.0
   62    61    63    64   1.05000 -1.0 2.0
   62    61    63    70   0.36000 -1.0 2.0
   62    65    72    74  -0.19450  1.0 1.0
   62    65    72    74   0.63300 -1.0 2.0
   62    65    72    74   0.07450  1.0 3.0
   62    65    72    84  -0.19450  1.0 1.0
   62    65    72    84   0.63300 -1.0 2.0
   62    65    72    84   0.07450  1.0 3.0
   62    65   -73    54   3.62500 -1.0 2.0
   62    65    73    76   3.62500 -1.0 2.0
   65    62    66    67   0.00000  1.0 1.0
   65    62    66    68   0.00000  1.0 1.0
   65    62    66    69   0.00000  1.0 1.0
   65    72    74    75   3.62500 -1.0 2.0
   65    72    74    79   3.62500 -1.0 2.0
   65    72    84    82   3.62500 -1.0 2.0
   65    72    84    90   3.62500 -1.0 2.0
   65    73    76    77   1.00000 -1.0 2.0
   65    73    76    78   1.00000 -1.0 2.0
   72    65    73    54   3.62500 -1.0 2.0
   72    65    73    76   3.62500 -1.0 2.0
   72    74    79    80   3.62500 -1.0 2.0
   72    74    79    81   3.62500 -1.0 2.0
   72    84    90    91   0.84100 -1.0 2.0
   74    72    84    82   3.62500 -1.0 2.0
   74    72    84    90   3.62500 -1.0 2.0
   74    79   -81    82   3.62500 -1.0 2.0
   74    79    81    83   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    81   3.62500 -1.0 2.0
   79    81    82    84   3.62500 -1.0 2.0
   79    81    82    85   3.62500 -1.0 2.0
   79    81    83    86   1.63200 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    82   -84    72   3.62500 -1.0 2.0
   81    82    84    90   3.62500 -1.0 2.0
   81    82    85    92   1.63200 -1.0 2.0
   81    83    86    87   0.08050  1.0 3.0
   81    83    86    88   0.08050  1.0 3.0
   81    83    86    89   0.08050  1.0 3.0
   82    81    83    86   1.63200 -1.0 2.0
   82    84    90    91   0.84100 -1.0 2.0
   82    85    92    93   0.08050  1.0 3.0
   82    85    92    94   0.08050  1.0 3.0
   82    85    92    95   0.08050  1.0 3.0
   84    72    74    75   3.62500 -1.0 2.0
   84    72   -74    79   3.62500 -1.0 2.0
   84    82    85    92   1.63200 -1.0 2.0
   85    82    84    72   3.62500 -1.0 2.0
   85    82    84    90   3.62500 -1.0 2.0
   83    81    82    84   3.62500 -1.0 2.0
   83    81    82    85   3.62500 -1.0 2.0
   73    54   -60    61   3.62500 -1.0 2.0
   73    65    72    74  -0.19450  1.0 1.0
   73    65    72    74   0.63300 -1.0 2.0
   73    65    72    74   0.07450  1.0 3.0
   73    65    72    84  -0.19450  1.0 1.0
   73    65    72    84   0.63300 -1.0 2.0
   73    65    72    84   0.07450  1.0 3.0
   66    62    65    72   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   63    61    62    65   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   64    63    70    71   0.92200  1.0 1.0
   64    63    70    71   3.74100 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   55    52    54    60   0.60800  1.0 1.0
   55    52    54    60   1.31550 -1.0 2.0
   55    52    54    60   1.01100  1.0 3.0
   55    52    54    73   0.04300  1.0 1.0
   55    52    54    73   0.58850 -1.0 2.0
   55    52    54    73   0.22750  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50    53    56  -1.11000  1.0 1.0
   46    50    53    56   0.50250 -1.0 2.0
   46    50    53    56   0.47450  1.0 3.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    53   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    42   0.05850 -1.0 2.0
   50    33   -37    42   0.17250  1.0 3.0
   50    33    39    40   0.21650  1.0 1.0
   50    33    39    40   0.26250 -1.0 2.0
   50    33    39    40   0.12450  1.0 3.0
   50    33    39    41   0.21650  1.0 1.0
   50    33    39    41   0.26250 -1.0 2.0
   50    33    39    41   0.12450  1.0 3.0
   50    53    56    57   0.37050  1.0 3.0
   50    53    56    58   0.37050  1.0 3.0
   50    53    56    59   0.37050  1.0 3.0
   51    50    53    56   0.37050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    50    46  -3.56550  1.0 1.0
   39    33    50    46  -0.67500 -1.0 2.0
   39    33    50    46   1.11300  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    53   3.18800  1.0 1.0
   39    33    50    53  -1.12350 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   43    55    42    37   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   54    55    52    48   4.00000 -1.0 2.0
   60    73    54    52   4.00000 -1.0 2.0
   63    62    61    60   4.00000 -1.0 2.0
   65    66    62    61   4.00000 -1.0 2.0
   72    73    65    62   4.00000 -1.0 2.0
   74    84    72    65   4.00000 -1.0 2.0
   79    75    74    72   1.10000 -1.0 2.0
   81    80    79    74   1.10000 -1.0 2.0
   82    83    81    79   4.00000 -1.0 2.0
   84    85    82    81   4.00000 -1.0 2.0
   82    90    84    72   4.00000 -1.0 2.0
   65    76    73    54   4.00000 -1.0 2.0
   78    73    76    77   1.00000 -1.0 2.0
   61    70    63    64  10.50000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
END
