* LIGAND DATABASE FILE (OPLS2005)
*
001     114   118    222    350     646
    1     0 S   NP   _N1_     1    28.13777    95.64201   -19.33736
    2     1 S   H    _HN1     2     1.02770    86.94481  -127.39444
    3     1 S   H    _H1_     3     1.02954    81.08392   -18.21851
    4     1 S   H    _H2_     4     1.02829    41.22033   110.65673
    5     1 S   CT   _CA1     5     1.50223   151.47242    98.35454
    6     5 S   HC   _HA1     6     1.09555   105.15492    67.98218
    7     5 S   CO3  _C1_     7     1.53918   112.34825   -52.17211
    8     7 S   O2Z  _O11     8     1.26416   114.94865   -36.49766
    9     7 S   O2Z  _O12     9     1.26228   115.13953   142.30777
   10     5 S   CT   _CB1    10     1.53096   107.36248  -173.80116
   11    10 S   HC   HB11    11     1.09825   109.70316   -44.98973
   12    10 S   HC   HB12    12     1.09801   110.26251    71.64339
   13    10 S   CT   _CG1    13     1.52993   112.63504  -165.80595
   14    13 S   HC   HG11    14     1.09488   110.79566   -58.74423
   15    13 S   HC   HG12    15     1.09660   109.85259    60.13228
   16    13 S   C    _CD1    16     1.51910   112.27874  -179.87180
   17    16 S   O    _OE1    17     1.22740   123.34413    -7.88630
   18    16 S   N    _N2_    18     1.38515   111.63654   173.06964
   19    18 S   H    _HN2    19     1.01559   118.72863     3.87444
   20    18 S   CT1  _CA2    20     1.45902   123.18611   176.49949
   21    20 S   HC   _HA2    21     1.09703   109.18626    22.80825
   22    20 S   C    _C2_    22     1.52896   106.80184   -94.35767
   23    22 S   O    _O2_    23     1.22980   123.01063   -27.49403
   24    20 S   CT   _CB2    32     1.53117   111.65006   146.42337
   25    24 S   HC   HB21    33     1.09564   109.42578    49.93042
   26    24 S   HC   HB22    34     1.09507   111.04838   168.63240
   27    22 S   N    _N3_    24     1.38484   112.57201   155.43538
   28    27 S   H    _HN3    25     1.01652   120.39417    -2.45750
   29    24 S   S    _SG2    35     1.82816   111.07145   -71.71804
   30    27 S   CT   _CA3    26     1.45360   122.45342   178.51694
   31    30 S   HC   HA31    27     1.09568   107.82845   -55.41096
   32    30 S   HC   HA32    28     1.09563   107.59054    60.91825
   33    29 S   CT   _C22    36     1.84408   100.08862   154.26879
   34    33 S   HC   _H3_    37     1.09403   104.12481     7.19440
   35    30 S   CO3  _C3_    29     1.52887   114.34260  -177.32694
   36    35 S   O2Z  _O31    30     1.26333   116.06655     0.26095
   37    35 S   O2Z  _O32    31     1.26437   114.40794  -179.77971
   38    33 S   CT   _C14    38     1.52903   107.45600   120.24154
   39    38 S   HC   _H47    39     1.09714   111.49712    47.06951
   40    38 S   HC   _H48    40     1.09645   110.63785   -72.89087
   41    38 S   CO4  _C9_    41     1.51262   111.54654   166.95045
   42    41 S   O    _O33    42     1.23248   119.64765  -154.57984
   43    41 S   CT   _C24    43     1.53308   117.63843    29.00463
   44    43 S   CT   _C18    44     1.59650   110.50719   -55.02433
   45    44 S   HC   _H53    45     1.09335   106.56111  -100.00626
   46    43 S   CT   _C29   107     1.54715   108.55011  -176.12318
   47    46 S   HC   _H64   108     1.09277   112.05364  -173.46463
   48    46 S   HC   _H65   109     1.09284   111.82709    65.28248
   49    46 S   HC   _H66   110     1.09703   111.32659   -54.14895
   50    43 S   CT   _C30   111     1.54675   105.50367    70.56008
   51    50 S   HC   _H67   112     1.09347   112.13501   167.15710
   52    50 S   HC   _H68   113     1.09766   110.69372    48.33341
   53    50 S   HC   _H69   114     1.09269   112.96843   -70.77955
   54    33 S   CT   _C26    46     1.58429   118.36216  -110.14900
   55    44 S   CT   _C34    97     1.55935   112.38003   147.49419
   56    55 S   HC   _H79    98     1.09460   110.92702   -59.15650
   57    55 S   HC   _H80    99     1.09401   111.64005  -177.77692
   58    54 S   CT   _C17    47     1.63188   112.03894   -73.14214
   59    58 S   HC   _H52    48     1.09517   105.86140   -36.41352
   60    54 S   CT   _C32    93     1.55153   107.60675    47.92579
   61    60 S   HC   _H73    94     1.09597   111.47281    51.09521
   62    60 S   HC   _H74    95     1.09199   112.97902   -66.79230
   63    60 S   HC   _H75    96     1.08976   112.27126   171.90367
   64    55 S   CO4  _C13   100     1.51396   113.99281    66.60216
   65    64 S   O    _O36   101     1.22412   124.23217    47.31718
   66    58 S   CM   _C8_    49     1.54766   116.81615  -151.99600
   67    58 S   CT   _C20    69     1.58024   116.27766    78.60367
   68    67 S   HC   _H55    70     1.08728   109.95828   -33.32209
   69    64 S   OS   _O41   102     1.36350   109.93239  -134.79002
   70    66 S   C3T  _C23    50     1.46325   114.14689   -84.50522
   71    67 S   OS   _O39    71     1.45912   105.98943  -149.20841
   72    66 S   CM   _C10    90     1.34414   121.47407   103.33597
   73    72 S   HC   _H45    91     1.08488   121.18409   175.70627
   74    72 S   HC   _H46    92     1.08434   121.67575    -3.46837
   75    69 S   CT   _C33   103     1.43045   115.20439  -179.48300
   76    75 S   HC   _H76   104     1.09326   108.10541  -178.92062
   77    75 S   HC   _H77   105     1.09418   110.26345    62.38119
   78    75 S   HC   _H78   106     1.09431   110.30614   -60.24375
   79    70 S   C3T  _C19    51     1.48827   129.71995   152.77477
   80    79 S   HC   _H54    52     1.07529   123.44858     7.78364
   81    71 S   CO4  _C11    72     1.36072   119.27926   129.95309
   82    81 S   O    _O34    73     1.22251   126.82491    -0.35608
   83    79 S   CT   _C15    53     1.50718   109.68656   154.17316
   84    83 S   HC   _H49    54     1.09460   109.63126  -102.97464
   85    83 S   HC   _H50    55     1.09494   111.53251   137.14181
   86    81 S   CT   _C27    74     1.49832   109.25790   179.36634
   87    86 S   HC   _H58    75     1.09297   109.77963   -61.43431
   88    86 S   HC   _H59    76     1.09375   109.37895   179.49410
   89    86 S   HC   _H60    77     1.09293   109.83379    60.45057
   90    70 S   O3T  _O38    89     1.45253   117.71549    83.20512
   91    83 S   CT   _C16    56     1.56057   103.59843    17.51779
   92    91 S   HC   _H51    57     1.10179   106.44285    79.93113
   93    91 S   C5BC _C7_    58     1.49459   114.96961  -162.40592
   94    70 S   CT   _C25    66     1.53001   115.67178   -61.22208
   95    93 S   C5BC _C4_    59     1.42566   125.97606  -142.42747
   96    95 S   HA   _H42    60     1.08094   127.23379    -0.43024
   97    94 S   CT   _C21    67     1.55028   106.42973    59.38458
   98    97 S   HC   _H56    68     1.09560   107.33427    69.16561
   99    94 S   CT   _C31    85     1.55424   110.29233   -63.02452
  100    99 S   HC   _H70    86     1.09234   112.99004    54.41993
  101    99 S   HC   _H71    87     1.09544   111.66149   -63.77531
  102    99 S   HC   _H72    88     1.09468   111.73935   175.44323
  103    95 S   C5A  _C5_    61     1.37378   106.81592   179.76845
  104   103 S   HA   _H43    62     1.08016   133.80128   179.73166
  105    97 S   OS   _O40    78     1.44533   109.07785  -173.97273
  106   103 S   OA   _O37    63     1.35614   110.40232    -0.46604
  107   105 S   CO4  _C12    79     1.36196   117.48511  -157.71585
  108   107 S   O    _O35    80     1.22250   126.26560     0.20174
  109    93 S   C5A  _C6_    64     1.38183   129.19123    36.43059
  110   109 S   HA   _H44    65     1.08057   133.59303     0.62118
  111   107 S   CT   _C28    81     1.49773   109.59110  -178.73746
  112   111 S   HC   _H61    82     1.09265   109.99263   -57.80879
  113   111 S   HC   _H62    83     1.09379   109.32400  -176.74190
  114   111 S   HC   _H63    84     1.09278   109.74544    64.07813
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  11   5   4  14   4  17  24   9   9   3   2
   1   5   2   1   1  17   8   4   3  20   8   5   2   1   1   6
   2  15  14   6   4  20  10   5   1   1   3   2   1   1  11   6
   6   4  11   6   5   3   2   1   1   4  16   6  10  10   6   4
   9   3   4   2   1   1   4   2   6   2   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    54    58    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    54    58    59    66    67    60    61    62    63    55  
   38    39    40    41    44    54    58    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    54    58    60    46    50  
   40    41    42    43    54  
   41    42    43    54  
   42    43    44    45    54    55    46    47    48    49    50    51    52    53  
   43    44    46    50  
   44    45    54    58    60    55    56    57    64    46    47    48    49    50    51    52    53  
   45    54    58    59    66    67    60    61    62    63    55    56    57    64    65    69    46    47    48    49    50    51    52    53  
   54    58    60    55    56    57    64    46    50  
   47    48    49    50    51    52    53    54    55  
   48    49    50  
   49    50  
   50  
   51    52    53    54    55  
   52    53  
   53  
    0  
   58    59    66    70    97    67    68    71    72    60    61    62    63    55    56    57    64  
   56    57    64    65    69    75    58    60  
   57    64    65    69  
   64    65    69  
   59    66    70    79    94    97    98    67    68    71    81   105    90    72    73    74    60    61    62    63  
   66    70    97    67    68    71    72    60  
   61    62    63    66    67  
   62    63  
   63  
    0  
   65    69    75    76    77    78  
   69    75  
   70    79    80    83    91    94    97    67    68    71    99    90    72    73    74  
   68    71    81    82    86   105   107    99    72    70    91    94    97    98  
   71    81   105    94    97    98  
   75    76    77    78  
   79    80    83    84    85    91    92    93    94    97    98   105    99   100   101   102    90    72    73    74  
   81    82    86    87    88    89   105    94    97    98  
   73    74    79    90    94  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    83    84    85    91    92    93    94    97    99    90  
   83    84    85    91    94    90  
   82    86    87    88    89    97  
   86    87    88    89  
   84    85    91    92    93    95   109    94    97    99    90  
   85    91    92    93    94    90  
   91    92    93    94    90  
   87    88    89  
   88    89  
   89  
    0  
   91    94    97    99  
   92    93    95    96   103   106   109   110    94    97    98   105    99   100   101   102  
   93    95   109    94    97    99  
   95    96   103   104   106   109   110    94    97    99  
   97    98   105   107    99   100   101   102    95   109  
   96   103   104   106   109   110  
  103   104   106   109  
   98   105   107   108   111    99   100   101   102  
  105   107    99  
  100   101   102   105  
  101   102  
  102  
    0  
  104   106   109   110  
  106   109  
  107   108   111   112   113   114  
  109   110  
  108   111   112   113   114  
  111   112   113   114  
  110  
    0  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  105   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  106   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  107   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  109   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  110   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  114   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    50   268.000  1.529
   44    45   340.000  1.090
   44    54   268.000  1.529
   44    55   268.000  1.529
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    66   317.000  1.510
   58    67   268.000  1.529
   66    70   305.000  1.480
   66    72   549.000  1.340
   70    79   260.000  1.509
   70    94   275.000  1.510
   70    90   335.000  1.432
   79    80   340.000  1.088
   79    83   275.000  1.510
   79    90   335.000  1.432
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   285.000  1.502
   91    94   268.000  1.529
   93    95   469.000  1.424
   93   109   546.000  1.367
   95    96   367.000  1.080
   95   103   546.000  1.367
  103   104   367.000  1.080
  103   106   340.000  1.360
  106   109   340.000  1.360
  109   110   367.000  1.080
   94    97   268.000  1.529
   94    99   268.000  1.529
   97    98   340.000  1.090
   97    67   268.000  1.529
   97   105   320.000  1.410
   67    68   340.000  1.090
   67    71   320.000  1.410
   71    81   214.000  1.327
   81    82   570.000  1.229
   81    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
  105   107   214.000  1.327
  107   108   570.000  1.229
  107   111   317.000  1.522
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   72    73   340.000  1.080
   72    74   340.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   317.000  1.522
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    54    44    58.35000  112.70000
   33    54    58    58.35000  112.70000
   33    54    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    50    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    54    58.35000  112.70000
   43    44    55    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   44    54    58    58.35000  112.70000
   44    54    60    58.35000  112.70000
   44    55    56    37.50000  110.70000
   44    55    57    37.50000  110.70000
   44    55    64    63.00000  111.10000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    44    45    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    66    70.00000  112.02700
   54    58    67    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    66    70    65.00000  117.92700
   58    66    72    70.00000  124.00000
   58    67    97    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    71    50.00000  109.50000
   66    58    59    35.00000  109.50000
   66    70    79    60.00000  120.58800
   66    70    94    65.00000  117.55000
   66    70    90    85.00000  114.23300
   66    72    73    35.00000  120.00000
   66    72    74    35.00000  120.00000
   70    79    80    37.50000  117.20000
   70    79    83    60.00000  120.94000
   70    79    90    15.00000   60.43100
   70    94    91    70.00000  112.37300
   70    94    97    70.00000  112.37300
   70    94    99    70.00000  112.37300
   70    90    79    15.00000   59.14900
   79    83    84    45.00000  109.38400
   79    83    85    45.00000  109.38400
   79    83    91    70.00000  112.37300
   83    79    80    40.00000  115.04500
   83    91    92    37.50000  110.70000
   83    91    93    70.00000  112.17500
   83    91    94    58.35000  112.70000
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    93    95    60.00000  130.00000
   91    93   109    60.00000  130.00000
   91    94    97    58.35000  112.70000
   91    94    99    58.35000  112.70000
   93    91    92    35.00000  109.50000
   93    95    96    35.00000  127.50000
   93    95   103    70.00000  107.30000
   93   109   106    70.00000  110.60000
   93   109   110    35.00000  132.10000
   95   103   104    35.00000  132.10000
   95   103   106    70.00000  110.60000
  103    95    96    35.00000  125.70000
  103   106   109    70.00000  106.50000
  106   103   104    35.00000  113.40000
  106   109   110    35.00000  113.40000
  109    93    95    70.00000  107.30000
   94    70    79    60.00000  120.94000
   94    91    92    37.50000  110.70000
   94    91    93    70.00000  112.17500
   94    97    98    37.50000  110.70000
   94    97    67    58.35000  112.70000
   94    97   105    50.00000  109.50000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    37.50000  110.70000
   97    67    68    37.50000  110.70000
   97    67    71    50.00000  109.50000
   97   105   107    83.00000  116.90000
   67    58    59    37.50000  110.70000
   67    58    66    70.00000  112.02700
   67    97    98    37.50000  110.70000
   67    71    81    83.00000  116.90000
   71    67    68    35.00000  109.50000
   71    81    82    83.00000  123.40000
   71    81    86    81.00000  111.40000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   86    81    82    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
  105    97    98    35.00000  109.50000
  105    97    67    50.00000  109.50000
  105   107   108    83.00000  123.40000
  105   107   111    81.00000  111.40000
  107   111   112    35.00000  109.50000
  107   111   113    35.00000  109.50000
  107   111   114    35.00000  109.50000
  111   107   108    80.00000  120.40000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   99    94    97    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   90    70    79    15.00000   60.43100
   90    70    94    80.00000  116.47100
   90    79    80    50.00000  114.27700
   90    79    83    80.00000  116.47100
   72    66    70    55.00000  125.06700
   74    72    73    35.00000  117.00000
   60    54    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   55    44    45    37.50000  110.70000
   55    44    54    58.35000  112.70000
   55    64    65    80.00000  120.40000
   55    64    69    81.00000  111.40000
   57    55    56    33.00000  107.80000
   64    55    56    35.00000  109.50000
   64    55    57    35.00000  109.50000
   64    69    75    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   46    43    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    43    44    58.35000  112.70000
   50    43    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
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  109    93    95    96   3.62500 -1.0 2.0
  109    93   -95   103   3.62500 -1.0 2.0
   94    70    79    80   0.15000  1.0 3.0
   94    70   -79    83   0.56750  1.0 1.0
   94    70   -79    83  -0.07550 -1.0 2.0
   94    70   -79    83   0.20000  1.0 3.0
   94    70   -79    90   0.02550  1.0 1.0
   94    70   -79    90  -0.02600 -1.0 2.0
   94    70   -79    90   1.20400  1.0 3.0
   94    70   -90    79   0.06250  1.0 1.0
   94    70   -90    79  -0.01100 -1.0 2.0
   94    70   -90    79   0.28050  1.0 3.0
   94    91    93    95   0.04150 -1.0 2.0
   94    91    93   109   0.04150 -1.0 2.0
   94    97   -67    58   0.56750  1.0 1.0
   94    97   -67    58  -0.07550 -1.0 2.0
   94    97   -67    58   0.20000  1.0 3.0
   94    97    67    68   0.15000  1.0 3.0
   94    97    67    71   0.62750  1.0 1.0
   94    97    67    71  -0.30950 -1.0 2.0
   94    97    67    71   0.27300  1.0 3.0
   94    97   105   107  -0.25900  1.0 1.0
   94    97   105   107  -0.47000 -1.0 2.0
   94    97   105   107   0.11750  1.0 3.0
   97    94    99   100   0.15000  1.0 3.0
   97    94    99   101   0.15000  1.0 3.0
   97    94    99   102   0.15000  1.0 3.0
   97    67    71    81  -0.25900  1.0 1.0
   97    67    71    81  -0.47000 -1.0 2.0
   97    67    71    81   0.11750  1.0 3.0
   97   105   107   108   3.00000 -1.0 2.0
   97   105   107   111   1.63150  1.0 1.0
   97   105   107   111   2.92000 -1.0 2.0
   98    97    67    58   0.15000  1.0 3.0
   98    97    67    68   0.15000  1.0 3.0
   98    97    67    71   0.23400  1.0 3.0
   98    97   105   107   0.08050  1.0 3.0
   67    58   -66    70   0.46850  1.0 1.0
   67    58   -66    70   0.08550 -1.0 2.0
   67    58   -66    70   0.09800  1.0 3.0
   67    58    66    72   0.09850  1.0 1.0
   67    58    66    72   0.15250 -1.0 2.0
   67    58    66    72  -0.50650  1.0 3.0
   67    97   105   107  -0.25900  1.0 1.0
   67    97   105   107  -0.47000 -1.0 2.0
   67    97   105   107   0.11750  1.0 3.0
   67    71    81    82   3.00000 -1.0 2.0
   67    71    81    86   1.63150  1.0 1.0
   67    71    81    86   2.92000 -1.0 2.0
   68    67    71    81   0.08050  1.0 3.0
   71    81    86    87   0.00000  1.0 1.0
   71    81    86    88   0.00000  1.0 1.0
   71    81    86    89   0.00000  1.0 1.0
   82    81    86    87   0.00000  1.0 1.0
   82    81    86    88   0.00000  1.0 1.0
   82    81    86    89   0.00000  1.0 1.0
  105    97    67    58   0.62750  1.0 1.0
  105    97    67    58  -0.30950 -1.0 2.0
  105    97    67    58   0.27300  1.0 3.0
  105    97    67    68   0.23400  1.0 3.0
  105    97    67    71   1.11900  1.0 1.0
  105    97    67    71  -1.16350 -1.0 2.0
  105    97    67    71  -0.34150  1.0 3.0
  105   107   111   112   0.00000  1.0 1.0
  105   107   111   113   0.00000  1.0 1.0
  105   107   111   114   0.00000  1.0 1.0
  108   107   111   112   0.00000  1.0 1.0
  108   107   111   113   0.00000  1.0 1.0
  108   107   111   114   0.00000  1.0 1.0
   99    94    97    98   0.15000  1.0 3.0
   99    94    97    67   0.56750  1.0 1.0
   99    94    97    67  -0.07550 -1.0 2.0
   99    94    97    67   0.20000  1.0 3.0
   99    94    97   105   0.62750  1.0 1.0
   99    94    97   105  -0.30950 -1.0 2.0
   99    94    97   105   0.27300  1.0 3.0
   90    70   -79    80   0.23400  1.0 3.0
   90    70   -79    83   0.02550  1.0 1.0
   90    70   -79    83  -0.02600 -1.0 2.0
   90    70   -79    83   1.20400  1.0 3.0
   90    70    94    91   0.02550  1.0 1.0
   90    70    94    91  -0.02600 -1.0 2.0
   90    70    94    91   1.20400  1.0 3.0
   90    70    94    97   0.02550  1.0 1.0
   90    70    94    97  -0.02600 -1.0 2.0
   90    70    94    97   1.20400  1.0 3.0
   90    70    94    99   0.02550  1.0 1.0
   90    70    94    99  -0.02600 -1.0 2.0
   90    70    94    99   1.20400  1.0 3.0
   90    79    83    84   0.23400  1.0 3.0
   90    79    83    85   0.23400  1.0 3.0
   90    79   -83    91   0.02550  1.0 1.0
   90    79   -83    91  -0.02600 -1.0 2.0
   90    79   -83    91   1.20400  1.0 3.0
   72    66    70    79   0.09850  1.0 1.0
   72    66    70    79   0.15250 -1.0 2.0
   72    66    70    79  -0.50650  1.0 3.0
   72    66    70    94   0.09850  1.0 1.0
   72    66    70    94   0.15250 -1.0 2.0
   72    66    70    94  -0.50650  1.0 3.0
   72    66    70    90   0.39000  1.0 1.0
   72    66    70    90  -0.05800 -1.0 2.0
   72    66    70    90  -0.55150  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    66   0.34400  1.0 1.0
   60    54    58    66   0.09450 -1.0 2.0
   60    54    58    66   0.11100  1.0 3.0
   60    54    58    67   0.56750  1.0 1.0
   60    54    58    67  -0.07550 -1.0 2.0
   60    54    58    67   0.20000  1.0 3.0
   55    44    54    33   0.56750  1.0 1.0
   55    44    54    33  -0.07550 -1.0 2.0
   55    44    54    33   0.20000  1.0 3.0
   55    44    54    58   0.56750  1.0 1.0
   55    44    54    58  -0.07550 -1.0 2.0
   55    44    54    58   0.20000  1.0 3.0
   55    44    54    60   0.56750  1.0 1.0
   55    44    54    60  -0.07550 -1.0 2.0
   55    44    54    60   0.20000  1.0 3.0
   55    64    69    75   1.63150  1.0 1.0
   55    64    69    75   2.92000 -1.0 2.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    69   0.00000  1.0 1.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    69   0.00000  1.0 1.0
   64    69    75    76   0.08050  1.0 3.0
   64    69    75    77   0.08050  1.0 3.0
   64    69    75    78   0.08050  1.0 3.0
   65    64    69    75   3.00000 -1.0 2.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    54   0.56750  1.0 1.0
   46    43    44    54  -0.07550 -1.0 2.0
   46    43    44    54   0.20000  1.0 3.0
   46    43    44    55   0.56750  1.0 1.0
   46    43    44    55  -0.07550 -1.0 2.0
   46    43    44    55   0.20000  1.0 3.0
   46    43    50    51   0.15000  1.0 3.0
   46    43    50    52   0.15000  1.0 3.0
   46    43    50    53   0.15000  1.0 3.0
   50    43    44    45   0.15000  1.0 3.0
   50    43    44    54   0.56750  1.0 1.0
   50    43    44    54  -0.07550 -1.0 2.0
   50    43    44    54   0.20000  1.0 3.0
   50    43    44    55   0.56750  1.0 1.0
   50    43    44    55  -0.07550 -1.0 2.0
   50    43    44    55   0.20000  1.0 3.0
   50    43    46    47   0.15000  1.0 3.0
   50    43    46    48   0.15000  1.0 3.0
   50    43    46    49   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   58    70    66    72   1.10000 -1.0 2.0
   95   109    93    91   4.00000 -1.0 2.0
  103    96    95    93   1.10000 -1.0 2.0
  106   104   103    95   1.10000 -1.0 2.0
  106   110   109    93   1.10000 -1.0 2.0
   71    86    81    82  10.50000 -1.0 2.0
  105   111   107   108  10.50000 -1.0 2.0
   73    74    72    66   1.10000 -1.0 2.0
   55    69    64    65  10.50000 -1.0 2.0
END
