* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    249     493
    1     0 S   NP   _N1_     1    27.92194    96.69356   -20.35791
    2     1 S   H    _HN1     2     1.02835    43.82675   143.08610
    3     1 S   H    _H1_     3     1.02778    88.43581   -98.73725
    4     1 S   H    _H2_     4     1.02958    76.92426    10.48481
    5     1 S   CT   _CA1     5     1.50124   153.02837   119.91397
    6     5 S   HC   _HA1     6     1.09575   105.22576    76.11791
    7     5 S   CO3  _C1_     7     1.53784   112.33751   -44.09112
    8     7 S   O2Z  _O11     8     1.26364   114.99901   -44.83382
    9     7 S   O2Z  _O12     9     1.26235   114.92816   134.26987
   10     5 S   CT   _CB1    10     1.53095   107.41859  -165.98545
   11    10 S   HC   HB11    11     1.09827   109.33898   -50.64661
   12    10 S   HC   HB12    12     1.09817   110.42908    65.90436
   13    10 S   CT   _CG1    13     1.53019   112.66823  -171.71869
   14    13 S   HC   HG11    14     1.09594   110.49117   -64.09359
   15    13 S   HC   HG12    15     1.09655   109.92892    55.11471
   16    13 S   C    _CD1    16     1.51836   112.29007   175.48187
   17    16 S   O    _OE1    17     1.22755   123.27491     0.13122
   18    16 S   N    _N2_    18     1.38559   111.73343   180.00000
   19    18 S   H    _HN2    19     1.01582   118.98544     4.81345
   20    18 S   CT1  _CA2    20     1.45773   122.91747   177.53455
   21    20 S   HC   _HA2    21     1.09551   108.72754    18.90819
   22    20 S   C    _C2_    22     1.52758   107.09749   -97.81319
   23    22 S   O    _O2_    23     1.22937   122.80965   -32.96253
   24    20 S   CT   _CB2    32     1.53203   111.97483   142.49392
   25    24 S   HC   HB21    33     1.09636   110.08653    49.95234
   26    24 S   HC   HB22    34     1.09506   111.56127   168.02039
   27    22 S   N    _N3_    24     1.38625   112.33847   149.90180
   28    27 S   H    _HN3    25     1.01440   119.76051    -0.43160
   29    24 S   S    _SG2    35     1.82799   112.44212   -69.52975
   30    27 S   CT   _CA3    26     1.45401   122.88812   175.27785
   31    30 S   HC   HA31    27     1.09544   108.81361    32.16959
   32    30 S   HC   HA32    28     1.09490   107.04856   149.29015
   33    29 S   CT   _C25    36     1.82876    99.20699   -79.52108
   34    33 S   HC   _H3_    37     1.09432   107.96027   -68.39778
   35    33 S   HC   _H4_    38     1.08982   106.30262    48.89684
   36    30 S   CO3  _C3_    29     1.53090   114.24681   -90.50664
   37    36 S   O2Z  _O31    30     1.26316   116.26071   -17.90914
   38    36 S   O2Z  _O32    31     1.26472   114.37063   162.86986
   39    33 S   CT   _C18    39     1.52811   112.57148   168.75013
   40    39 S   HC   _H40    40     1.09728   110.49957   -49.95572
   41    39 S   CO4  _C8_    41     1.51118   111.37226    71.15480
   42    41 S   O    _O23    42     1.22163   125.77715   -74.37859
   43    41 S   OS   _O26    43     1.36321   110.53678   104.84505
   44    43 S   CT   _C14    44     1.43734   110.82870     0.98794
   45    44 S   HC   _H36    45     1.08951   106.80328   -99.36252
   46    44 S   CM   _C4_    46     1.50517   106.99990   138.54007
   47    46 S   HC   _H31    47     1.09175   112.43897   -56.64564
   48    39 S   CT   _C19    61     1.54272   116.55886  -173.43371
   49    48 S   HC   _H41    62     1.10242   105.24635   154.61542
   50    46 S   CM   _C6_    48     1.34934   131.06709   124.49309
   51    50 S   CT   _C16    49     1.52084   128.39822    -2.95048
   52    51 S   HC   _H38    50     1.09881   106.21954  -140.68728
   53    50 S   CT   _C20    90     1.51418   118.33230   178.67455
   54    53 S   HC   _H42    91     1.09512   110.18162   117.36807
   55    53 S   HC   _H43    92     1.09520   112.68311    -2.60045
   56    53 S   HC   _H44    93     1.09407   110.63907  -122.67915
   57    51 S   CT   _C13    51     1.54255   114.35689   100.66003
   58    57 S   HC   _H34    52     1.09594   110.31952    61.10252
   59    57 S   HC   _H35    53     1.09886   107.61484   174.47699
   60    51 S   OS   _O29    83     1.44276   111.25336   -24.37423
   61    57 S   CT   _C17    54     1.54296   115.71614   -65.58773
   62    61 S   HC   _H39    55     1.08737   107.34208   -46.59000
   63    60 S   CO4  _C12    84     1.36239   117.93957  -148.15122
   64    63 S   O    _O25    85     1.22333   126.43615    -1.59336
   65    61 S   CM   _C7_    56     1.51936   115.85924    79.68302
   66    61 S   OH   _O27    81     1.43322   108.28305  -160.33744
   67    66 S   HO   _H59    82     0.97235   107.56708    63.64530
   68    63 S   CT   _C24    86     1.49844   109.73920  -179.91153
   69    68 S   HC   _H54    87     1.09365   110.28646   -39.60947
   70    68 S   HC   _H55    88     1.09367   109.25421  -157.88044
   71    68 S   HC   _H56    89     1.09185   109.61111    82.06881
   72    65 S   CM   _C5_    57     1.35145   126.49909  -120.94146
   73    72 S   HC   _H32    58     1.09180   116.46388   178.78921
   74    65 S   CT   _C21    77     1.51467   115.48885    59.92073
   75    74 S   HC   _H45    78     1.09325   110.91259   -67.28532
   76    74 S   HC   _H46    79     1.09561   112.41476   172.88699
   77    74 S   HC   _H47    80     1.09461   110.76460    53.45260
   78    72 S   CT   _C15    59     1.51552   132.42748    -1.52457
   79    78 S   HC   _H37    60     1.09845   107.12447  -141.74166
   80    78 S   OS   _O28    63     1.43809   111.74685   -22.65630
   81    80 S   CO4  _C11    64     1.36173   117.71615   -85.32887
   82    81 S   O    _O24    65     1.22111   126.62985    -5.10937
   83    81 S   CM   _C10    66     1.48733   108.80321   175.16240
   84    83 S   CM   _C9_    67     1.34502   120.56974  -140.82435
   85    84 S   HC   _H33    68     1.08948   117.75804  -177.67704
   86    83 S   CT   _C23    73     1.49996   117.50039    40.62891
   87    86 S   HC   _H51    74     1.09414   110.80106   -64.43317
   88    86 S   HC   _H52    75     1.09345   110.33721    55.77664
   89    86 S   HC   _H53    76     1.09505   112.09267   175.59549
   90    84 S   CT   _C22    69     1.49552   128.39544     4.14605
   91    90 S   HC   _H48    70     1.09392   110.04735  -106.48594
   92    90 S   HC   _H49    71     1.09515   109.28507   134.98062
   93    90 S   HC   _H50    72     1.09240   113.47061    15.92879
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4   9
   4  12  16   7   5   2   1   1  11   6   5   7  11   5   5   4
  11   3   1   3   2   1   1   9   4   4   2   1   1   5   2   5
   9   3  10   9   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    78    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    72    78    79    48    49    80  
   41    42    43    44    78    48    49  
   42    43    44    45    46    78    48    49  
   43    44    48  
   44    45    46    47    50    78    48    49  
   45    46    47    50    51    72    78    79    48    49    80    53  
   46    47    50    78    48    49  
   47    50    51    52    57    78    48    49    60    53    54    55    56  
   50    51    48    53  
   49    80    81    50    65    72    73    78    79  
   80    72    78    79  
   51    52    57    58    59    61    60    63    53    54    55    56  
   52    57    58    59    61    62    65    66    60    63    64    68    53    54    55    56  
   57    58    59    61    60    63    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    61    62    65    72    74    66    67    60    63  
   59    61    62    65    66    60  
   61    62    65    66    60  
   63    64    68    69    70    71    61  
   62    65    72    73    78    74    75    76    77    66    67  
   65    72    74    66    67  
   64    68    69    70    71  
   68    69    70    71  
   72    73    78    79    80    74    75    76    77    66    67  
   67    72    74  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    78    79    80    81    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83  
   80    81  
   81    82    83    84    86  
   82    83    84    85    90    86    87    88    89  
   83    84    86  
   84    85    90    91    92    93    86    87    88    89  
   85    90    91    92    93    86    87    88    89  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   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    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   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    65   317.000  1.510
   61    66   320.000  1.410
   65    72   549.000  1.340
   65    74   317.000  1.510
   72    73   340.000  1.080
   72    78   317.000  1.510
   78    79   340.000  1.090
   78    48   268.000  1.529
   78    80   320.000  1.410
   48    49   340.000  1.090
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   549.000  1.340
   83    86   317.000  1.510
   84    85   340.000  1.080
   84    90   317.000  1.510
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   66    67   553.000  0.945
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
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    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    78    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    78    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    85.00000  110.90400
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    58.35000  112.70000
   51    60    63    83.00000  116.90000
   57    51    52    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    70.00000  112.02700
   57    61    66    50.00000  109.50000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    65    72    70.00000  124.00000
   61    65    74    65.00000  117.92700
   61    66    67    55.00000  108.50000
   65    61    62    35.00000  109.50000
   65    72    73    35.00000  120.00000
   65    72    78    70.00000  124.00000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   72    78    79    35.00000  109.50000
   72    78    48    70.00000  112.02700
   72    78    80    85.00000  110.90400
   78    72    73    35.00000  117.00000
   78    48    49    37.50000  110.70000
   78    80    81    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    78    79    37.50000  110.70000
   80    78    79    35.00000  109.50000
   80    78    48    50.00000  109.50000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    65.00000  118.96000
   81    83    86    65.00000  116.34900
   83    81    82    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    90    70.00000  124.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   90    84    85    35.00000  117.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   86    83    84    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    65    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    65    90.00000  110.39200
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    68    81.00000  111.40000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   68    63    64    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    78   0.56750  1.0 1.0
   33    39    48    78  -0.07550 -1.0 2.0
   33    39    48    78   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    78   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    78  -0.95700  1.0 1.0
   41    39    48    78  -0.18200 -1.0 2.0
   41    39    48    78   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    78   0.62750  1.0 1.0
   43    44    48    78  -0.30950 -1.0 2.0
   43    44    48    78   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    78   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    78   0.34400  1.0 1.0
   46    44    48    78   0.09450 -1.0 2.0
   46    44    48    78   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.39000  1.0 1.0
   46    50    51    60  -0.05800 -1.0 2.0
   46    50    51    60  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    61   0.34400  1.0 1.0
   50    51    57    61   0.09450 -1.0 2.0
   50    51    57    61   0.11100  1.0 3.0
   50    51    60    63  -0.82050  1.0 1.0
   50    51    60    63   0.00600 -1.0 2.0
   50    51    60    63   0.04400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    61    62   0.15000  1.0 3.0
   51    57    61    65   0.34400  1.0 1.0
   51    57    61    65   0.09450 -1.0 2.0
   51    57    61    65   0.11100  1.0 3.0
   51    57    61    66   0.86500  1.0 1.0
   51    57    61    66  -0.17500 -1.0 2.0
   51    57    61    66   0.20800  1.0 3.0
   51    60    63    64   3.00000 -1.0 2.0
   51    60    63    68   1.63150  1.0 1.0
   51    60    63    68   2.92000 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   52    51    60    63   0.08050  1.0 3.0
   57    51    60    63  -0.25900  1.0 1.0
   57    51    60    63  -0.47000 -1.0 2.0
   57    51    60    63   0.11750  1.0 3.0
   57    61    65    72   0.09850  1.0 1.0
   57    61    65    72   0.15250 -1.0 2.0
   57    61    65    72  -0.50650  1.0 3.0
   57    61    65    74   0.46850  1.0 1.0
   57    61    65    74   0.08550 -1.0 2.0
   57    61    65    74   0.09800  1.0 3.0
   57    61    66    67  -0.11600  1.0 1.0
   57    61    66    67  -0.09450 -1.0 2.0
   57    61    66    67   0.21250  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.15000  1.0 3.0
   58    57    61    66   0.23400  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    65   0.15000  1.0 3.0
   59    57    61    66   0.23400  1.0 3.0
   61    65    72    73   7.00000 -1.0 2.0
   61    65    72    78   7.00000 -1.0 2.0
   61    65    74    75   0.34800  1.0 3.0
   61    65    74    76   0.34800  1.0 3.0
   61    65    74    77   0.34800  1.0 3.0
   62    61    65    72   0.00000  1.0 1.0
   62    61    65    74   0.34800  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   65    61    66    67  -0.07800  1.0 1.0
   65    61    66    67  -0.21500 -1.0 2.0
   65    61    66    67  -0.03150  1.0 3.0
   65    72    78    79   0.00000  1.0 1.0
   65    72    78    48   0.09850  1.0 1.0
   65    72    78    48   0.15250 -1.0 2.0
   65    72    78    48  -0.50650  1.0 3.0
   65    72    78    80   0.39000  1.0 1.0
   65    72    78    80  -0.05800 -1.0 2.0
   65    72    78    80  -0.55150  1.0 3.0
   72    65    74    75   0.00000  1.0 1.0
   72    65    74    76   0.00000  1.0 1.0
   72    65    74    77   0.00000  1.0 1.0
   72    78    48    39   0.34400  1.0 1.0
   72    78    48    39   0.09450 -1.0 2.0
   72    78    48    39   0.11100  1.0 3.0
   72    78    48    44   0.34400  1.0 1.0
   72    78    48    44   0.09450 -1.0 2.0
   72    78    48    44   0.11100  1.0 3.0
   72    78    48    49   0.15000  1.0 3.0
   72    78    80    81  -0.82050  1.0 1.0
   72    78    80    81   0.00600 -1.0 2.0
   72    78    80    81   0.04400  1.0 3.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    48   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   78    80    81    82   3.00000 -1.0 2.0
   78    80    81    83   2.00000 -1.0 2.0
   79    78    48    39   0.15000  1.0 3.0
   79    78    48    44   0.15000  1.0 3.0
   79    78    48    49   0.15000  1.0 3.0
   79    78    80    81   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    78    80    81  -0.25900  1.0 1.0
   48    78    80    81  -0.47000 -1.0 2.0
   48    78    80    81   0.11750  1.0 3.0
   80    78    48    39   0.62750  1.0 1.0
   80    78    48    39  -0.30950 -1.0 2.0
   80    78    48    39   0.27300  1.0 3.0
   80    78    48    44   0.62750  1.0 1.0
   80    78    48    44  -0.30950 -1.0 2.0
   80    78    48    44   0.27300  1.0 3.0
   80    78    48    49   0.23400  1.0 3.0
   80    81    83    84  -0.56150  1.0 1.0
   80    81    83    84   2.19150 -1.0 2.0
   80    81    83    86  -0.15000  1.0 1.0
   80    81    83    86   0.89550 -1.0 2.0
   80    81    83    86  -0.06900  1.0 3.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    90   7.00000 -1.0 2.0
   81    83    86    87   0.15000  1.0 3.0
   81    83    86    88   0.15000  1.0 3.0
   81    83    86    89   0.15000  1.0 3.0
   82    81    83    84   1.00000 -1.0 2.0
   82    81    83    86  -0.64400  1.0 1.0
   82    81    83    86   0.26850 -1.0 2.0
   83    84    90    91   0.00000  1.0 1.0
   83    84    90    92   0.00000  1.0 1.0
   83    84    90    93   0.00000  1.0 1.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   84    83    86    89   0.00000  1.0 1.0
   85    84    90    91   0.33100  1.0 3.0
   85    84    90    92   0.33100  1.0 3.0
   85    84    90    93   0.33100  1.0 3.0
   86    83    84    85   7.00000 -1.0 2.0
   86    83    84    90   7.00000 -1.0 2.0
   74    65    72    73   7.00000 -1.0 2.0
   74    65    72    78   7.00000 -1.0 2.0
   66    61    65    72   0.67800  1.0 1.0
   66    61    65    72   0.47050 -1.0 2.0
   66    61    65    72  -0.62500  1.0 3.0
   66    61    65    74   0.18000  1.0 1.0
   66    61    65    74   0.16450 -1.0 2.0
   66    61    65    74   0.04450  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    61   0.62750  1.0 1.0
   60    51    57    61  -0.30950 -1.0 2.0
   60    51    57    61   0.27300  1.0 3.0
   60    63    68    69   0.00000  1.0 1.0
   60    63    68    70   0.00000  1.0 1.0
   60    63    68    71   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    71   0.00000  1.0 1.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.09700  1.0 1.0
   53    50    51    60   0.15600 -1.0 2.0
   53    50    51    60  -0.50800  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   61    74    65    72   1.10000 -1.0 2.0
   78    73    72    65   1.10000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    86    83    84  15.00000 -1.0 2.0
   90    85    84    83  15.00000 -1.0 2.0
   60    68    63    64  10.50000 -1.0 2.0
END
