* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    162    251     474
    1     0 S   NP   _N1_     1    29.51491    94.87862   -26.69386
    2     1 S   H    _HN1     2     1.02872    77.57442    12.04853
    3     1 S   H    _H1_     3     1.02710    30.39509  -158.56688
    4     1 S   H    _H2_     4     1.03804   121.81736   -91.30156
    5     1 S   CT   _CA1     5     1.49705   119.57690   119.50057
    6     5 S   HC   _HA1     6     1.09563   105.23368    92.22029
    7     5 S   CO3  _C1_     7     1.53849   112.40555   -28.14590
    8     7 S   O2Z  _O11     8     1.26411   115.18967   -44.61065
    9     7 S   O2Z  _O12     9     1.26291   114.95815   134.69225
   10     5 S   CT   _CB1    10     1.53118   107.67838  -149.58047
   11    10 S   HC   HB11    11     1.09785   109.84056   -47.17863
   12    10 S   HC   HB12    12     1.09606   110.25901    69.90506
   13    10 S   CT   _CG1    13     1.52815   112.53896  -168.39142
   14    13 S   HC   HG11    14     1.09594   110.54772   -61.68049
   15    13 S   HC   HG12    15     1.09663   109.77881    57.39077
   16    13 S   C    _CD1    16     1.51893   112.50937   178.07481
   17    16 S   O    _OE1    17     1.22728   123.54990     4.39962
   18    16 S   N    _N2_    18     1.38641   111.25831  -176.03760
   19    18 S   H    _HN2    19     1.01598   118.80459     0.90287
   20    18 S   CT1  _CA2    20     1.46054   123.74626   179.17576
   21    20 S   HC   _HA2    21     1.09575   109.37021    -9.56497
   22    20 S   C    _C2_    22     1.53288   107.55055  -124.44144
   23    22 S   O    _O2_    23     1.22977   122.54560  -137.65628
   24    20 S   CT   _CB2    32     1.53276   111.45540   113.31664
   25    24 S   HC   HB21    33     1.09639   109.90279    52.44167
   26    24 S   HC   HB22    34     1.09544   111.31363   170.35305
   27    22 S   N    _N3_    24     1.38615   113.06793    49.29202
   28    27 S   H    _HN3    25     1.01525   119.13146    -0.86570
   29    24 S   S    _SG2    35     1.82889   113.57557   -67.53968
   30    27 S   CT   _CA3    26     1.45397   122.93600   174.42342
   31    30 S   HC   HA31    27     1.09558   108.60925    35.03552
   32    30 S   HC   HA32    28     1.09476   107.22095   152.02082
   33    29 S   CT   _C17    36     1.82651    99.14312   -74.33906
   34    33 S   HC   _H19    37     1.09447   108.18659   -54.88782
   35    33 S   HC   _H20    38     1.09377   107.94826    63.57956
   36    30 S   CO3  _C3_    29     1.53056   113.87219   -87.83465
   37    36 S   O2Z  _O31    30     1.26354   115.90873   -31.60166
   38    36 S   O2Z  _O32    31     1.26445   114.62205   149.25331
   39    33 S   CT   _C16    39     1.52768   111.08354  -175.70313
   40    39 S   HC   _H10    40     1.09757   111.33808    46.86090
   41    39 S   CT   _C15    41     1.53350   113.68956   170.12685
   42    41 S   HC   _H9_    42     1.09394   112.64941   -87.95842
   43    41 S   CT   _C14    43     1.51395   101.17401   150.37019
   44    43 S   HC   _H8_    44     1.09732   109.44572    76.80601
   45    41 S   OH   _O41    88     1.42521   111.23832    33.20350
   46    45 S   HO   _H21    89     0.97317   107.23888   175.09312
   47    43 S   CO   _C13    45     1.51939   102.01110   -38.51830
   48    47 S   HC   _H7_    46     1.09469   112.11129   156.10097
   49    43 S   OH   _O42    86     1.41218   113.84436  -161.00565
   50    49 S   HO   _H22    87     0.97302   107.56546   -65.52956
   51    39 S   OS   _O40    47     1.44869   109.79738   -70.81368
   52    47 S   NG   _N7_    48     1.47081   111.16179   -81.70817
   53    52 S   H    _H18    49     1.01610   119.26898     4.09739
   54    52 S   CG   _C12    50     1.32883   123.59826  -177.27840
   55    54 S   HC   _H17    51     1.07257   113.68358  -179.36388
   56    54 S   NG   _N6_    52     1.32150   127.22150     1.93016
   57    56 S   H    _H16    53     1.01796   116.05530     2.74352
   58    56 S   C5A  _C6_    54     1.39980   128.37397   179.66080
   59    58 S   C5B  _C5_    55     1.38788   122.72945  -168.30444
   60    59 S   N5B  _N4_    56     1.37556   110.65898   179.38388
   61    59 S   C    _C18    81     1.45269   126.81682    -0.41259
   62    61 S   O    _O43    82     1.22804   122.88836     3.09706
   63    60 S   CRA  _C4_    57     1.31147   105.04741     1.16466
   64    63 S   HA   _H11    58     1.08197   124.55708   177.65724
   65    61 S   N    _N8_    83     1.37475   113.97037  -176.59349
   66    65 S   H    _H23    84     1.01517   121.89794     1.69939
   67    65 S   H    _H24    85     1.01341   120.78258   179.00397
   68    58 S   N*   _N5_    59     1.37676   132.16770    13.43243
   69    68 S   CO   _C7_    60     1.45303   128.01861     8.98185
   70    69 S   HC   _H3_    61     1.09478   106.84179    32.13500
   71    69 S   CT   _C8_    62     1.53111   117.08632   -93.09059
   72    71 S   HC   _H4_    63     1.09762   107.85750   141.41144
   73    71 S   CT   _C9_    64     1.51802   104.60497  -103.41183
   74    73 S   HC   _H5_    65     1.09409   112.22306  -150.66014
   75    71 S   OH   _O39    79     1.41335   114.13225    21.57028
   76    75 S   HO   _H15    80     0.97314   107.60507  -164.59406
   77    73 S   CT   _C10    66     1.52397   101.88757   -30.86853
   78    77 S   HC   _H6_    67     1.09726   110.19829   -80.73614
   79    73 S   OH   _O38    77     1.42133   111.43684    89.74701
   80    79 S   HO   _H14    78     0.96969   109.02886   -54.07877
   81    69 S   OS   _O33    68     1.44022   108.72824   146.20697
   82    77 S   CT   _C11    69     1.52196   115.04937   153.91096
   83    82 S   HC   _H12    70     1.09415   110.78444    57.98068
   84    82 S   HC   _H13    71     1.09481   111.11013   -62.85934
   85    82 S   OS   _O34    72     1.42550   108.71299   176.33179
   86    85 S   P3   _P1_    73     1.64985   118.48993   127.62853
   87    86 S   O2Z  _O36    74     1.52407   103.77060  -178.92189
   88    86 S   O2Z  _O37    75     1.52474   104.37364    61.02941
   89    86 S   O2Z  _O35    76     1.52611   104.62458   -59.24426
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1   9   5
   3   1   3   6   3   6   3   8   3  12  10   7   6   3   6   2
   2   1   1   8  12   6  11   7  12   7   4   1   9   6   3   1
   4   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    51    45  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    51    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    51    49    45    46  
   44    47    48    51    52    53    54    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    51  
    0  
   48    51    52    53    54    55    56    49    50  
   51    52    53    54    49  
   50    51    52  
    0  
   52    53    54  
   53    54    55    56    57    58  
   54    55    56  
   55    56    57    58    59    68  
   56    57    58  
   57    58    59    60    63    68    69    61  
   58    59    68  
   59    60    63    64    68    69    70    71    81    61    62    65  
   60    63    64    68    69    61    62    65    66    67  
   63    64    68    69    61    62    65  
   62    65    66    67    63    68  
   65    66    67  
   64    68    69    70    71    81  
   68    69  
   66    67  
   67  
    0  
   69    70    71    72    73    77    81    75  
   70    71    72    73    74    77    78    81    82    79    75    76  
   71    72    73    77    81    75  
   72    73    74    77    78    81    82    79    80    75    76  
   73    74    77    81    79    75    76  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79    81  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.2500   0.1700  -0.151000   2.2900   2.0360   0.003973653   1.685851020
   53   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   54   2.2500   0.0500   0.227700   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.139100   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.228500   1.8650   1.6500   0.051222218  -2.220205820
   57   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.101000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.121500   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.7500   0.1050   0.638500   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   63   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   67   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   87   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   88   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   89   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   320.000  1.380
   47    52   305.000  1.457
   52    53   434.000  1.010
   52    54   481.000  1.340
   54    55   385.000  1.083
   54    56   481.000  1.340
   56    57   434.000  1.010
   56    58   415.000  1.386
   58    59   520.000  1.370
   58    68   427.000  1.381
   59    60   410.000  1.394
   59    61   310.000  1.477
   60    63   488.000  1.335
   63    64   367.000  1.080
   63    68   477.000  1.343
   68    69   275.000  1.479
   69    70   340.000  1.090
   69    71   250.000  1.527
   69    81   320.000  1.380
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   320.000  1.410
   77    78   340.000  1.090
   77    81   320.000  1.410
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   230.000  1.630
   86    87   525.000  1.516
   86    88   525.000  1.516
   86    89   525.000  1.516
   79    80   553.000  0.945
   75    76   553.000  0.945
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   434.000  1.010
   65    67   434.000  1.010
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    90.00000  108.56700
   43    47    52    80.00000  106.00000
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    52    53    45.00000  121.30000
   47    52    54    65.00000  124.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    47    48    35.00000  109.50000
   52    47    48    50.00000  108.16000
   52    47    51   100.00000  109.09000
   52    54    55    45.00000  116.52200
   52    54    56    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    65.00000  118.38100
   56    54    55    45.00000  116.52200
   56    58    59    60.00000  129.49600
   56    58    68    75.00000  119.25000
   58    56    57    20.00000  113.50000
   58    59    60    70.00000  111.00000
   58    59    61    60.00000  124.35000
   58    68    63    70.00000  109.80000
   58    68    69    65.00000  127.50000
   59    60    63    70.00000  110.00000
   59    61    62    80.00000  122.33200
   59    61    65    75.00000  113.48100
   60    63    64    35.00000  120.00000
   60    63    68    70.00000  120.00000
   63    68    69    60.00000  127.66100
   68    58    59    70.00000  106.30000
   68    63    64    35.00000  120.00000
   68    69    70    55.00000  103.44000
   68    69    71    75.00000  107.44000
   68    69    81   105.00000  106.22000
   69    71    72    45.00000  108.72000
   69    71    73    75.00000  109.43000
   69    71    75    90.00000  111.58700
   69    81    77    60.00000  109.50000
   71    69    70    45.00000  112.01100
   71    73    74    37.50000  110.70000
   71    73    77    58.35000  112.70000
   71    73    79    50.00000  109.50000
   71    75    76    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    50.00000  109.50000
   73    77    82    58.35000  112.70000
   73    79    80    55.00000  108.50000
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    50.00000  109.50000
   81    69    70    35.00000  109.50000
   81    69    71    90.00000  108.56700
   81    77    78    35.00000  109.50000
   82    77    78    37.50000  110.70000
   82    77    81    50.00000  109.50000
   82    85    86    80.00000  112.68000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    86    87   100.00000  107.00000
   85    86    88   100.00000  107.00000
   85    86    89   100.00000  107.00000
   88    86    87   140.00000  114.00000
   89    86    87   140.00000  114.00000
   89    86    88   140.00000  114.00000
   79    73    74    35.00000  109.50000
   79    73    77    50.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   61    59    60    65.00000  122.69000
   61    65    66    35.00000  119.80000
   61    65    67    35.00000  119.80000
   65    61    62    80.00000  122.90000
   67    65    66    35.00000  120.00000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    51    47   0.06250  1.0 1.0
   33    39    51    47  -0.01100 -1.0 2.0
   33    39    51    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    51    47   0.37050  1.0 3.0
   41    39   -51    47   0.06250  1.0 1.0
   41    39   -51    47  -0.01100 -1.0 2.0
   41    39   -51    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   0.62750  1.0 1.0
   41    43   -47    51  -0.30950 -1.0 2.0
   41    43   -47    51   0.27300  1.0 3.0
   41    43    47    52   0.86200  1.0 1.0
   41    43    47    52   0.12850 -1.0 2.0
   41    43    47    52   0.15950  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -51    39   0.06250  1.0 1.0
   43    47   -51    39  -0.01100 -1.0 2.0
   43    47   -51    39   0.28050  1.0 3.0
   43    47    52    53  -0.09500  1.0 1.0
   43    47    52    53  -0.20850 -1.0 2.0
   43    47    52    53   0.20900  1.0 3.0
   43    47    52    54   0.25550 -1.0 2.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   44    43    47    52  -0.29100  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    52    54    55  -0.09200  1.0 1.0
   47    52    54    55   0.68550 -1.0 2.0
   47    52    54    56   3.96800 -1.0 2.0
   48    47    51    39   0.37050  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.08850  1.0 3.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    45   3.69350  1.0 1.0
   51    39    41    45  -1.82950 -1.0 2.0
   51    47    52    53  -1.49000  1.0 1.0
   51    47    52    53  -2.58450 -1.0 2.0
   51    47    52    54   0.75000  1.0 1.0
   51    47    52    54  -0.75000 -1.0 2.0
   52    47    51    39  -0.25000  1.0 1.0
   52    47    51    39  -0.75000 -1.0 2.0
   52    47    51    39   0.50000  1.0 3.0
   52    54    56    57   1.50000 -1.0 2.0
   52    54    56    58  -0.27700  1.0 1.0
   52    54    56    58   1.87200 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    56   1.50000 -1.0 2.0
   54    56    58    59   0.00750  1.0 1.0
   54    56    58    59  -0.23950 -1.0 2.0
   54    56    58    59  -0.39650 -1.0 4.0
   54    56    58    68   0.96250 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   56    58    68    63   3.62500 -1.0 2.0
   56    58    68    69   3.62500 -1.0 2.0
   57    56    58    59   1.75000 -1.0 2.0
   57    56    58    68   1.75000 -1.0 2.0
   58    59   -60    63   2.40000 -1.0 2.0
   58    59    61    62   1.05000 -1.0 2.0
   58    59    61    65   0.75700  1.0 1.0
   58    59    61    65   0.34650 -1.0 2.0
   58    59    61    65   0.33000  1.0 3.0
   58    59    61    65  -0.28100 -1.0 4.0
   58    68    69    70   0.00000  1.0 1.0
   58    68    69    71   1.10250  1.0 1.0
   58    68    69    71   0.01650 -1.0 2.0
   58    68    69    71   0.39100  1.0 3.0
   58    68    69    81   0.10350  1.0 1.0
   58    68    69    81  -0.15350 -1.0 2.0
   59    58   -68    63   1.40000 -1.0 2.0
   59    58    68    69   0.81400  1.0 1.0
   59    58    68    69   1.55550 -1.0 2.0
   59    60    63    64   5.00000 -1.0 2.0
   59    60   -63    68   5.00000 -1.0 2.0
   59    61    65    66   2.56700 -1.0 2.0
   59    61    65    67   2.56700 -1.0 2.0
   60    59    61    62   1.05000 -1.0 2.0
   60    59    61    65   1.61600  1.0 1.0
   60    59    61    65  -0.04750 -1.0 2.0
   60    59    61    65   0.11700  1.0 3.0
   60    63   -68    58   2.32500 -1.0 2.0
   60    63    68    69   3.62500 -1.0 2.0
   63    68    69    70   0.00000  1.0 1.0
   63    68    69    71   1.10250  1.0 1.0
   63    68    69    71   0.01650 -1.0 2.0
   63    68    69    71   0.39100  1.0 3.0
   63    68    69    81   0.10350  1.0 1.0
   63    68    69    81  -0.15350 -1.0 2.0
   64    63    68    58   2.32500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   68    58   -59    60   5.37500 -1.0 2.0
   68    58    59    61   3.62500 -1.0 2.0
   68    69    71    72   0.15000  1.0 3.0
   68    69    71    73  -0.64600  1.0 1.0
   68    69    71    73   0.58400 -1.0 2.0
   68    69    71    75   2.76900  1.0 1.0
   68    69    71    75  -0.24350 -1.0 2.0
   68    69    71    75  -0.78250  1.0 3.0
   68    69    81    77  -2.37750  1.0 1.0
   68    69    81    77  -0.08150 -1.0 2.0
   68    69    81    77   0.59000  1.0 3.0
   69    71    73    74   0.15000  1.0 3.0
   69    71   -73    77   3.97050  1.0 1.0
   69    71    73    79   0.86500  1.0 1.0
   69    71    73    79  -0.17500 -1.0 2.0
   69    71    73    79   0.20800  1.0 3.0
   69    71    75    76  -0.11600  1.0 1.0
   69    71    75    76  -0.09450 -1.0 2.0
   69    71    75    76   0.21250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    75   0.23400  1.0 3.0
   70    69    81    77   0.37050  1.0 3.0
   71    69   -81    77   0.06250  1.0 1.0
   71    69   -81    77  -0.01100 -1.0 2.0
   71    69   -81    77   0.28050  1.0 3.0
   71    73    77    78   0.15000  1.0 3.0
   71    73   -77    81   0.62750  1.0 1.0
   71    73   -77    81  -0.30950 -1.0 2.0
   71    73   -77    81   0.27300  1.0 3.0
   71    73    77    82   0.56750  1.0 1.0
   71    73    77    82  -0.07550 -1.0 2.0
   71    73    77    82   0.20000  1.0 3.0
   71    73    79    80  -0.11600  1.0 1.0
   71    73    79    80  -0.09450 -1.0 2.0
   71    73    79    80   0.21250  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    77   0.15000  1.0 3.0
   72    71    73    79   0.23400  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    71    75    76  -0.11600  1.0 1.0
   73    71    75    76  -0.09450 -1.0 2.0
   73    71    75    76   0.21250  1.0 3.0
   73    77   -81    69   0.06250  1.0 1.0
   73    77   -81    69  -0.01100 -1.0 2.0
   73    77   -81    69   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85   0.62750  1.0 1.0
   73    77    82    85  -0.30950 -1.0 2.0
   73    77    82    85   0.27300  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80  -0.11600  1.0 1.0
   77    73    79    80  -0.09450 -1.0 2.0
   77    73    79    80   0.21250  1.0 3.0
   77    82    85    86  -2.65550  1.0 1.0
   77    82    85    86  -0.22350 -1.0 2.0
   77    82    85    86   0.24150  1.0 3.0
   78    77    81    69   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    69    71    72   0.23400  1.0 3.0
   81    69   -71    73   0.62750  1.0 1.0
   81    69   -71    73  -0.30950 -1.0 2.0
   81    69   -71    73   0.27300  1.0 3.0
   81    69    71    75   3.69350  1.0 1.0
   81    69    71    75  -1.82950 -1.0 2.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.11900  1.0 1.0
   81    77    82    85  -1.16350 -1.0 2.0
   81    77    82    85  -0.34150  1.0 3.0
   82    77    81    69   0.06250  1.0 1.0
   82    77    81    69  -0.01100 -1.0 2.0
   82    77    81    69   0.28050  1.0 3.0
   82    85    86    87   0.00000  1.0 1.0
   82    85    86    88   0.00000  1.0 1.0
   82    85    86    89   0.00000  1.0 1.0
   83    82    85    86   0.03000  1.0 3.0
   84    82    85    86   0.03000  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   3.69350  1.0 1.0
   79    73    77    81  -1.82950 -1.0 2.0
   79    73    77    82   0.86500  1.0 1.0
   79    73    77    82  -0.17500 -1.0 2.0
   79    73    77    82   0.20800  1.0 3.0
   75    71    73    74   0.23400  1.0 3.0
   75    71    73    77   0.86500  1.0 1.0
   75    71    73    77  -0.17500 -1.0 2.0
   75    71    73    77   0.20800  1.0 3.0
   75    71    73    79   3.75450  1.0 1.0
   61    59    60    63   3.62500 -1.0 2.0
   62    61    65    66   2.45000 -1.0 2.0
   62    61    65    67   2.45000 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   3.69350  1.0 1.0
   49    43    47    51  -1.82950 -1.0 2.0
   49    43    47    52   4.07950  1.0 1.0
   49    43    47    52  -0.26450 -1.0 2.0
   49    43    47    52  -0.12150  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   47    53    52    54   1.00000 -1.0 2.0
   56    55    54    52  10.50000 -1.0 2.0
   57    54    56    58   1.00000 -1.0 2.0
   59    68    58    56   4.00000 -1.0 2.0
   61    60    59    58   4.00000 -1.0 2.0
   68    64    63    60   1.10000 -1.0 2.0
   63    69    68    58   4.00000 -1.0 2.0
   59    65    61    62  10.50000 -1.0 2.0
   67    61    65    66   1.00000 -1.0 2.0
END
