* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    217    330     641
    1     0 S   NP   _N1_     1    29.38584    93.14354   -21.39121
    2     1 S   H    _HN1     2     1.02828    22.82846   162.79091
    3     1 S   H    _H1_     3     1.02768    93.75969   -67.38033
    4     1 S   H    _H2_     4     1.02955    95.69202    41.54225
    5     1 S   CT   _CA1     5     1.50211   133.49009   166.67567
    6     5 S   HC   _HA1     6     1.09570   105.18307    57.41973
    7     5 S   CO3  _C1_     7     1.53788   112.40430   -62.59102
    8     7 S   O2Z  _O11     8     1.26358   114.96372   -38.06393
    9     7 S   O2Z  _O12     9     1.26231   114.98470   140.88499
   10     5 S   CT   _CB1    10     1.53056   107.31109   175.30798
   11    10 S   HC   HB11    11     1.09820   109.18839   -49.64119
   12    10 S   HC   HB12    12     1.09846   110.35172    66.77678
   13    10 S   CT   _CG1    13     1.53111   112.97205  -170.87327
   14    13 S   HC   HG11    14     1.09585   110.20370   -63.95379
   15    13 S   HC   HG12    15     1.09611   110.30067    55.41725
   16    13 S   C    _CD1    16     1.51821   111.92787   175.44637
   17    16 S   O    _OE1    17     1.22786   122.99525   -12.88960
   18    16 S   N    _N2_    18     1.38688   112.00976   167.44812
   19    18 S   H    _HN2    19     1.01596   119.14471     1.07556
   20    18 S   CT1  _CA2    20     1.46269   123.02716  -174.82392
   21    20 S   HC   _HA2    21     1.09550   109.06981   -17.00723
   22    20 S   C    _C2_    22     1.53125   108.75269  -132.49559
   23    22 S   O    _O2_    23     1.22994   122.34716  -143.69289
   24    20 S   CT   _CB2    32     1.53584   111.54182   104.61606
   25    24 S   HC   HB21    33     1.09397   109.46840    60.85500
   26    24 S   HC   HB22    34     1.09514   110.32887   178.88548
   27    22 S   N    _N3_    24     1.38529   113.11433    43.95304
   28    27 S   H    _HN3    25     1.01533   118.91782    -1.11118
   29    24 S   S    _SG2    35     1.83057   111.03015   -61.91386
   30    27 S   CT   _CA3    26     1.45401   123.19008   173.85324
   31    30 S   HC   HA31    27     1.09540   108.92311    30.24992
   32    30 S   HC   HA32    28     1.09482   107.20731   147.27871
   33    29 S   CT   _C14    36     1.86744   102.20714   150.28737
   34    30 S   CO3  _C3_    29     1.52999   113.35279   -92.92731
   35    34 S   O2Z  _O31    30     1.26385   115.59140   -39.97242
   36    34 S   O2Z  _O32    31     1.26386   114.85887   140.99290
   37    33 S   CO4  _C13    37     1.53834   108.92669   -58.80796
   38    37 S   O    _O34    38     1.22885   123.88577   -21.83389
   39    33 S   CT   _C5_    51     1.55122   109.96424    61.64802
   40    39 S   HC   _H3_    52     1.09909   109.79126   -59.03885
   41    33 S   CT   _C15    57     1.56287   107.12290  -176.21747
   42    41 S   HC   _H13    58     1.09793   110.14004   -51.03636
   43    41 S   HC   _H14    59     1.09312   109.45386  -165.43323
   44    37 S   CA   _C12    39     1.48148   117.37283   161.77841
   45    39 S   CT   _C4_    53     1.53601   114.67122    61.72383
   46    45 S   HC   _H6_    54     1.09500   111.71788    64.39060
   47    45 S   HC   _H7_    55     1.09336   112.32029   -57.72121
   48    45 S   HC   _H8_    56     1.09637   110.42772  -176.76021
   49    41 S   CM   _C16    60     1.51158   114.84634    70.19240
   50    49 S   HC   _H15    61     1.08943   114.38832   -63.81950
   51    44 S   CA   _C11    40     1.40115   119.10402   165.48769
   52    51 S   HA   _H12    41     1.08733   121.15848     1.21981
   53    49 S   CM   _C17    62     1.34792   128.43033   116.36236
   54    51 S   CA   _C10    42     1.39492   120.15046  -177.98899
   55    54 S   HA   _H11    43     1.08645   119.95322   179.74744
   56    53 S   CT   _C18    63     1.50409   125.35089    -0.28531
   57    56 S   HC   _H16    64     1.09452   110.26033   118.21370
   58    56 S   HC   _H17    65     1.09115   113.88100    -2.49466
   59    56 S   HC   _H18    66     1.09533   110.05451  -122.35971
   60    53 S   CT   _C19    67     1.51829   119.81959  -177.91644
   61    60 S   HC   _H19    68     1.09534   110.35109    24.13116
   62    60 S   HC   _H20    69     1.09796   108.43505   138.27603
   63    54 S   CA   _C9_    44     1.39269   120.03717     0.04846
   64    63 S   HA   _H10    45     1.08645   119.99377   179.88465
   65    60 S   CT   _C20    70     1.53417   114.14097  -100.50960
   66    65 S   HC   _H21    71     1.09726   109.26155   -54.42958
   67    65 S   HC   _H22    72     1.09548   108.73009  -169.25963
   68    63 S   CA   _C8_    46     1.39496   120.03685    -0.25334
   69    68 S   HA   _H9_    47     1.08723   118.72752  -179.55987
   70    65 S   CT   _C21    73     1.53658   114.83871    67.34322
   71    70 S   HC   _H23    74     1.09814   107.98036  -172.91684
   72    70 S   HC   _H24    75     1.09430   108.51030   -59.00459
   73    44 S   CA   _C7_    48     1.39561   121.08789   -12.91025
   74    70 S   CT   _C22    76     1.54586   115.18739    65.42942
   75    74 S   HC   _H4_    77     1.09545   109.93169   -50.95340
   76    73 S   CO4  _C6_    49     1.47993   120.96311    -2.86765
   77    76 S   O    _O33    50     1.22750   119.50881   170.68084
   78    74 S   CT   _C23    78     1.53321   110.98722    67.87061
   79    78 S   HC   _H25    79     1.09519   111.25312    58.40698
   80    78 S   HC   _H26    80     1.09369   111.50550   -62.54499
   81    78 S   HC   _H27    81     1.09544   110.76504   178.43003
   82    74 S   CT   _C24    82     1.54514   111.22396  -170.24311
   83    82 S   HC   _H28    83     1.09708   110.03981   -47.53766
   84    82 S   HC   _H29    84     1.09761   109.28780  -164.42535
   85    82 S   CT   _C25    85     1.53421   112.57408    75.62032
   86    85 S   HC   _H30    86     1.09385   109.97821   -60.04444
   87    85 S   HC   _H31    87     1.09493   108.58055    57.06107
   88    85 S   CT   _C26    88     1.53380   111.38015   178.65012
   89    88 S   HC   _H32    89     1.09785   108.54723    63.58437
   90    88 S   HC   _H33    90     1.09750   109.45710   -51.87292
   91    88 S   CT   _C27    91     1.54596   114.97473  -174.58901
   92    91 S   HC   _H5_    92     1.09859   106.50397  -173.78303
   93    91 S   CT   _C28    93     1.53039   111.65393   -57.06828
   94    93 S   HC   _H34    94     1.09407   111.61755    73.74947
   95    93 S   HC   _H35    95     1.09466   111.03057  -165.97883
   96    93 S   HC   _H36    96     1.09520   110.87065   -47.06240
   97    91 S   CT   _C29    97     1.54217   111.04093    69.60566
   98    97 S   HC   _H37    98     1.09758   108.58038    54.61439
   99    97 S   HC   _H38    99     1.09527   110.19033   -61.73289
  100    97 S   CT   _C30   100     1.53307   113.93893   176.18392
  101   100 S   HC   _H39   101     1.09395   109.11767    64.93243
  102   100 S   HC   _H40   102     1.09609   109.97472   -52.96911
  103   100 S   CT   _C31   103     1.53214   110.66224  -174.18773
  104   103 S   HC   _H41   104     1.09523   109.23825   -55.65832
  105   103 S   HC   _H42   105     1.09777   108.48572    59.96361
  106   103 S   CT   _C32   106     1.53896   114.00196  -178.53500
  107   106 S   HC   _H43   107     1.09720   108.77798   -56.19725
  108   106 S   CT   _C33   108     1.52980   112.53461    63.87371
  109   108 S   HC   _H44   109     1.09491   111.26075    55.75797
  110   108 S   HC   _H45   110     1.09547   110.72455   175.73130
  111   108 S   HC   _H46   111     1.09386   111.49897   -65.15370
  112   106 S   CT   _C34   112     1.53143   109.61966  -174.05202
  113   112 S   HC   _H47   113     1.09563   111.26966   -61.89775
  114   112 S   HC   _H48   114     1.09513   110.85127    58.37023
  115   112 S   HC   _H49   115     1.09517   110.84801   177.87045
  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  12   5   4   3
  19   2   1   1  15   5  14   8  10   4   3  10   6   3   2   1
  10   3   8   4  11   6   3   7   3   2   1   9   5   4   5   3
   9   5   4   4   2  12   5   4   2  12   8   1   1   7   3   2
   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2   1
   9   5   4   9   5   4  12   5   4   9   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    76    39    40    45    41    42    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    51    73    76    77    39    40    45    46    47    48    41    42    43    49    50    53  
   35    36  
   36  
    0  
   38    44    51    52    54    68    73    76    39    40    45    41    42    43    49  
   44    51    73    39    41  
   40    45    46    47    48    41    42    43    49    44    68    73    76    77  
   45    46    47    48    41    73    76    77  
   42    43    49    50    53    56    60    44    45    76  
   43    49    50    53  
   49    50    53  
   51    52    54    55    63    68    69    73    76    77  
   46    47    48    73    76    77  
   47    48    76  
   48    76  
   76  
   50    53    56    57    58    59    60    61    62    65  
   53    56    60  
   52    54    55    63    64    68    73    76  
   54    55    63    73  
   56    57    58    59    60    61    62    65    66    67    70  
   55    63    64    68    69    73  
   63    64    68  
   57    58    59    60    61    62    65  
   58    59    60  
   59    60  
   60  
   61    62    65    66    67    70    71    72    74  
   62    65    66    67    70  
   65    66    67    70  
   64    68    69    73    76  
   68    69    73  
   66    67    70    71    72    74    75    78    82  
   67    70    71    72    74  
   70    71    72    74  
   69    73    76    77  
   73    76  
   71    72    74    75    78    79    80    81    82    83    84    85  
   72    74    75    78    82  
   74    75    78    82  
   76    77  
   75    78    79    80    81    82    83    84    85    86    87    88  
   78    79    80    81    82    83    84    85  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90    91    92    93    97  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    95    96    97    98    99   100  
   90    91    92    93    97  
   91    92    93    97  
   92    93    94    95    96    97    98    99   100   101   102   103  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105   106   107   108   112  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112   113   114   115  
  105   106   107   108   112  
  106   107   108   112  
  107   108   109   110   111   112   113   114   115  
  108   109   110   111   112   113   114   115  
  109   110   111   112   113   114   115  
  110   111   112  
  111   112  
  112  
  113   114   115  
  114   115  
  115  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    51   469.000  1.400
   44    73   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    76   310.000  1.470
   76    77   570.000  1.229
   76    39   317.000  1.522
   39    40   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   317.000  1.510
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    56   317.000  1.510
   53    60   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   268.000  1.529
   91    97   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   268.000  1.529
  106   112   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    76    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    49    70.00000  112.02700
   37    44    51    60.00000  119.52600
   37    44    73    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   44    73    68    63.00000  120.00000
   44    73    76    60.00000  119.52600
   51    54    55    35.00000  120.00000
   51    54    63    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    63    64    35.00000  120.00000
   54    63    68    63.00000  120.00000
   63    54    55    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    73    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    73    76    60.00000  119.52600
   73    44    51    63.00000  120.00000
   73    68    69    35.00000  120.00000
   73    76    77    75.00000  123.78400
   73    76    39    65.00000  115.47100
   76    39    40    35.00000  109.50000
   76    39    45    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    76    77    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   45    39    40    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    49    50    35.00000  117.00000
   41    49    53    70.00000  124.00000
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  109.50000
   49    53    56    70.00000  124.00000
   49    53    60    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    65    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    53    56    65.00000  117.92700
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    58.35000  112.70000
   78    74    75    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    78    58.35000  112.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    37.50000  110.70000
   88    91    93    58.35000  112.70000
   88    91    97    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    93    94    37.50000  110.70000
   91    93    95    37.50000  110.70000
   91    93    96    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   100    58.35000  112.70000
   93    91    92    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    91    92    37.50000  110.70000
   97    91    93    58.35000  112.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    58.35000  112.70000
  103   106   112    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   108   109    37.50000  110.70000
  106   108   110    37.50000  110.70000
  106   108   111    37.50000  110.70000
  106   112   113    37.50000  110.70000
  106   112   114    37.50000  110.70000
  106   112   115    37.50000  110.70000
  108   106   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  112   106   107    37.50000  110.70000
  112   106   108    58.35000  112.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    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
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  103   106   112   115   0.15000  1.0 3.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   112   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   112   0.15000  1.0 3.0
  107   106   108   109   0.15000  1.0 3.0
  107   106   108   110   0.15000  1.0 3.0
  107   106   108   111   0.15000  1.0 3.0
  107   106   112   113   0.15000  1.0 3.0
  107   106   112   114   0.15000  1.0 3.0
  107   106   112   115   0.15000  1.0 3.0
  108   106   112   113   0.15000  1.0 3.0
  108   106   112   114   0.15000  1.0 3.0
  108   106   112   115   0.15000  1.0 3.0
  112   106   108   109   0.15000  1.0 3.0
  112   106   108   110   0.15000  1.0 3.0
  112   106   108   111   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   51    73    44    37   4.00000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   63    55    54    51   1.10000 -1.0 2.0
   68    64    63    54   1.10000 -1.0 2.0
   73    69    68    63   1.10000 -1.0 2.0
   68    76    73    44   4.00000 -1.0 2.0
   73    39    76    77  10.50000 -1.0 2.0
   41    50    49    53  15.00000 -1.0 2.0
   56    60    53    49  15.00000 -1.0 2.0
END
