* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    132    213     394
    1     0 S   NP   _N1_     1    28.80062    95.71379   -21.56404
    2     1 S   H    _HN1     2     1.02950    80.06697    16.19801
    3     1 S   H    _H1_     3     1.02830    37.97538   151.43337
    4     1 S   H    _H2_     4     1.02783    92.31340   -92.00893
    5     1 S   CT   _CA1     5     1.50119   147.12566   128.66041
    6     5 S   HC   _HA1     6     1.09567   105.23532    74.12621
    7     5 S   CO3  _C1_     7     1.53811   112.23928   -46.18108
    8     7 S   O2Z  _O11     8     1.26382   115.04748   -45.91998
    9     7 S   O2Z  _O12     9     1.26217   114.97200   133.12690
   10     5 S   CT   _CB1    10     1.53077   107.40237  -167.86849
   11    10 S   HC   HB11    11     1.09829   109.55985   -48.75744
   12    10 S   HC   HB12    12     1.09818   110.35563    67.87556
   13    10 S   CT   _CG1    13     1.53000   112.59676  -169.70654
   14    13 S   HC   HG11    14     1.09496   110.44302   -62.01308
   15    13 S   HC   HG12    15     1.09643   109.94892    57.21482
   16    13 S   C    _CD1    16     1.51792   112.15533   177.82687
   17    16 S   O    _OE1    17     1.22753   123.19446     3.32313
   18    16 S   N    _N2_    18     1.38669   111.84394  -177.10362
   19    18 S   H    _HN2    19     1.01617   119.02059     2.25611
   20    18 S   CT1  _CA2    20     1.46341   123.18168  -179.34778
   21    20 S   HC   _HA2    21     1.09736   109.30403    -2.38474
   22    20 S   C    _C2_    22     1.53366   108.85878  -118.05908
   23    22 S   O    _O2_    23     1.23048   122.22507  -148.72486
   24    20 S   CT   _CB2    32     1.53483   111.43304   119.30653
   25    24 S   HC   HB21    33     1.09176   109.38448    61.82016
   26    24 S   HC   HB22    34     1.09531   110.41848   179.50111
   27    22 S   N    _N3_    24     1.38321   113.63395    38.77733
   28    27 S   H    _HN3    25     1.01622   119.54649    -3.65259
   29    24 S   S    _SG2    35     1.82874   110.75256   -61.59824
   30    27 S   CT   _CA3    26     1.45292   123.13199   176.92973
   31    30 S   HC   HA31    27     1.09552   107.54786   -63.29198
   32    30 S   HC   HA32    28     1.09559   107.91784    53.10875
   33    29 S   CT   _C17    36     1.87073   102.61391   144.12426
   34    30 S   CO3  _C3_    29     1.52940   114.14623   175.08657
   35    34 S   O2Z  _O31    30     1.26367   116.06787    -0.39515
   36    34 S   O2Z  _O32    31     1.26433   114.40940   179.65736
   37    33 S   CO4  _C11    37     1.54332   103.99675  -178.93706
   38    37 S   O    _O19    38     1.22720   123.63806  -104.34326
   39    33 S   CT   _C16    60     1.55586   111.43402    58.94828
   40    39 S   HC   _H31    61     1.09861   109.05333   -64.31940
   41    37 S   CA   _C8_    39     1.49152   117.91721    73.64435
   42    39 S   CT   _C18    62     1.52943   117.42939    55.95479
   43    42 S   HC   _H32    63     1.09265   112.59368    67.65934
   44    42 S   HC   _H33    64     1.09253   112.67895   -56.24607
   45    42 S   HC   _H34    65     1.09682   109.29103  -175.67337
   46    41 S   CA   _C7_    40     1.39995   119.83208    19.07733
   47    46 S   CA   _C5_    41     1.40100   120.37266  -177.71861
   48    47 S   HA   _H25    42     1.08738   121.20940   179.92087
   49    46 S   CO4  _C10    50     1.47950   120.96028     3.36517
   50    49 S   O    _O18    51     1.22793   120.67054  -177.64540
   51    47 S   CA   _C4_    43     1.39328   120.12369    -0.30901
   52    51 S   HA   _H24    44     1.08659   119.90492   179.76097
   53    33 S   CT   _C14    52     1.54473   112.70545   -62.99443
   54    53 S   HC   _H29    53     1.09606   109.49576    57.23802
   55    51 S   CA   _C6_    45     1.39203   119.96082    -0.36850
   56    55 S   HA   _H26    46     1.08683   119.63304  -179.84423
   57    53 S   CT   _C13    54     1.53809   111.53256   175.21341
   58    57 S   HC   _H27    55     1.09788   109.75291    69.43286
   59    57 S   HC   _H28    56     1.09724   109.96407  -173.87446
   60    41 S   CA   _C9_    47     1.40355   121.29541  -159.53301
   61    57 S   CT   _C15    57     1.53031   110.86376   -51.84046
   62    61 S   HC   _H30    58     1.09736   109.55337   -64.06068
   63    60 S   OH   _O22    48     1.36916   123.42363    -1.42354
   64    63 S   HO   _H37    49     0.97391   108.85486    -4.21733
   65    61 S   OS   _O21    59     1.43206   109.37776    55.49262
   66    61 S   CT   _C19    66     1.52732   110.69336   174.33732
   67    66 S   HC   _H35    67     1.09709   109.79418    48.71849
   68    66 S   HC   _H36    68     1.09776   109.61209   -69.57610
   69    66 S   CO3  _C12    69     1.53332   115.41683   168.89957
   70    69 S   O2Z  _O17    70     1.26548   114.02431   166.22543
   71    69 S   O2Z  _O20    71     1.26130   116.75537   -14.62150
  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
  20   2   1   1  15   5  14   7  12   6   3   2   1  12   9   4
   9   3   5   3   8   4   4   2   9   5   4   2   8   5   1   1
   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    54    57    65    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    60    49    50    53    54    57    58    59    61    65    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    55    60    63    49    53    54    57    65    39    40    42  
   41    46    60    53    39  
   40    42    43    44    45    66    41    49    53    54    57    61    62    65  
   42    43    44    45    53    61    65  
   46    47    48    51    55    56    60    63    64    49    50    53  
   43    44    45    53    61    65  
   44    45    65  
   45    65  
   65  
   47    48    51    52    55    60    63    49    50    53    54    57  
   48    51    52    55    56    60    49    50    53  
   51    52    55    49  
   50    53    54    57    58    59    61    51    60  
   53    54    57  
   52    55    56    60    63  
   55    56    60  
   54    57    58    59    61    62    65    66  
   57    58    59    61  
   56    60    63    64  
   60    63  
   58    59    61    62    65    66    67    68    69  
   59    61    62    65    66  
   61    62    65    66  
   63    64  
   62    65    66    67    68    69    70    71  
   65    66    67    68    69  
   64  
    0  
   66    67    68    69  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    53   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    60   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    63   450.000  1.364
   63    64   553.000  0.945
   49    50   570.000  1.229
   49    53   317.000  1.522
   53    54   340.000  1.090
   53    57   268.000  1.529
   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   320.000  1.410
   61    66   268.000  1.529
   65    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
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    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    57    58.35000  112.70000
   33    39    65    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    60    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  119.52600
   41    60    55    63.00000  120.00000
   41    60    63    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    53    65.00000  115.47100
   47    51    52    35.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    60    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    60    63    70.00000  120.00000
   60    41    46    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    63    64    35.00000  113.00000
   49    46    47    60.00000  119.52600
   49    53    54    35.00000  109.50000
   49    53    57    63.00000  111.10000
   53    33    37    63.00000  111.10000
   53    49    50    80.00000  120.40000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    50.00000  109.50000
   57    61    66    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    65    39    60.00000  109.50000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    70.00000  109.69300
   65    61    62    35.00000  109.50000
   65    39    40    35.00000  109.50000
   65    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    65    50.00000  109.50000
   66    69    70    70.00000  117.00000
   66    69    71    70.00000  117.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   71    69    70    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   29    33    39    65   0.56750  1.0 1.0
   29    33    39    65  -0.07550 -1.0 2.0
   29    33    39    65   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    37    41    46   2.26350  1.0 1.0
   33    37    41    46   0.76750 -1.0 2.0
   33    37    41    46   0.22500  1.0 3.0
   33    37    41    60   2.26350  1.0 1.0
   33    37    41    60   0.76750 -1.0 2.0
   33    37    41    60   0.22500  1.0 3.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    61   0.56750  1.0 1.0
   33    53    57    61  -0.07550 -1.0 2.0
   33    53    57    61   0.20000  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   37    33    53    49   0.11950  1.0 1.0
   37    33    53    49   0.20300 -1.0 2.0
   37    33    53    49  -0.70800  1.0 3.0
   37    33    53    54  -0.11250  1.0 3.0
   37    33    53    57  -0.95700  1.0 1.0
   37    33    53    57  -0.18200 -1.0 2.0
   37    33    53    57   0.29450  1.0 3.0
   37    33    39    65  -0.09450  1.0 1.0
   37    33    39    65  -1.12950 -1.0 2.0
   37    33    39    65   0.54000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41   -46    49   3.62500 -1.0 2.0
   37    41    60    55   3.62500 -1.0 2.0
   37    41    60    63   3.62500 -1.0 2.0
   38    37    41    46   1.05000 -1.0 2.0
   38    37    41    60   1.05000 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46    47    51   3.62500 -1.0 2.0
   41    46    49    50   1.05000 -1.0 2.0
   41    46    49    53   2.26350  1.0 1.0
   41    46    49    53   0.76750 -1.0 2.0
   41    46    49    53   0.22500  1.0 3.0
   41    60    63    64   0.84100 -1.0 2.0
   46    41    60    55   3.62500 -1.0 2.0
   46    41    60    63   3.62500 -1.0 2.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    55   3.62500 -1.0 2.0
   46    49   -53    33   0.05850 -1.0 2.0
   46    49   -53    33   0.17250  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    57   0.05850 -1.0 2.0
   46    49    53    57   0.17250  1.0 3.0
   47    46    49    50   1.05000 -1.0 2.0
   47    46    49    53   2.26350  1.0 1.0
   47    46    49    53   0.76750 -1.0 2.0
   47    46    49    53   0.22500  1.0 3.0
   47    51    55    56   3.62500 -1.0 2.0
   47    51    55    60   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55   -60    41   3.62500 -1.0 2.0
   51    55    60    63   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    60   3.62500 -1.0 2.0
   55    60    63    64   0.84100 -1.0 2.0
   56    55    60    41   3.62500 -1.0 2.0
   56    55    60    63   3.62500 -1.0 2.0
   60    41   -46    47   3.62500 -1.0 2.0
   60    41    46    49   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    46    47    51   3.62500 -1.0 2.0
   49    53    57    58  -0.11250  1.0 3.0
   49    53    57    59  -0.11250  1.0 3.0
   49    53    57    61  -0.95700  1.0 1.0
   49    53    57    61  -0.18200 -1.0 2.0
   49    53    57    61   0.29450  1.0 3.0
   50    49    53    33   0.30150 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   0.30150 -1.0 2.0
   53    33    37    38   0.30150 -1.0 2.0
   53    33   -37    41   0.05850 -1.0 2.0
   53    33   -37    41   0.17250  1.0 3.0
   53    33    39    65   0.62750  1.0 1.0
   53    33    39    65  -0.30950 -1.0 2.0
   53    33    39    65   0.27300  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    42   0.56750  1.0 1.0
   53    33    39    42  -0.07550 -1.0 2.0
   53    33    39    42   0.20000  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57   -61    65   0.62750  1.0 1.0
   53    57   -61    65  -0.30950 -1.0 2.0
   53    57   -61    65   0.27300  1.0 3.0
   53    57    61    66   0.56750  1.0 1.0
   53    57    61    66  -0.07550 -1.0 2.0
   53    57    61    66   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   57    61    65    39   0.06250  1.0 1.0
   57    61    65    39  -0.01100 -1.0 2.0
   57    61    65    39   0.28050  1.0 3.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    69  -1.63150  1.0 1.0
   57    61    66    69  -0.43550 -1.0 2.0
   57    61    66    69   0.24500  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.23400  1.0 3.0
   58    57    61    66   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    65   0.23400  1.0 3.0
   59    57    61    66   0.15000  1.0 3.0
   61    65   -39    33   0.06250  1.0 1.0
   61    65   -39    33  -0.01100 -1.0 2.0
   61    65   -39    33   0.28050  1.0 3.0
   61    65    39    40   0.37050  1.0 3.0
   61    65    39    42   0.06250  1.0 1.0
   61    65    39    42  -0.01100 -1.0 2.0
   61    65    39    42   0.28050  1.0 3.0
   61    66    69    70   0.41150 -1.0 2.0
   61    66    69    71   0.41150 -1.0 2.0
   62    61    65    39   0.37050  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69  -0.11250  1.0 3.0
   65    61    66    67   0.23400  1.0 3.0
   65    61    66    68   0.23400  1.0 3.0
   65    61    66    69  -3.35100  1.0 1.0
   65    61    66    69  -0.37050 -1.0 2.0
   65    61    66    69   0.22400  1.0 3.0
   65    39    42    43   0.23400  1.0 3.0
   65    39    42    44   0.23400  1.0 3.0
   65    39    42    45   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    53    49  -0.95700  1.0 1.0
   39    33    53    49  -0.18200 -1.0 2.0
   39    33    53    49   0.29450  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33   -53    57   0.56750  1.0 1.0
   39    33   -53    57  -0.07550 -1.0 2.0
   39    33   -53    57   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   66    61    65    39   0.06250  1.0 1.0
   66    61    65    39  -0.01100 -1.0 2.0
   66    61    65    39   0.28050  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    60    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   55    52    51    47   1.10000 -1.0 2.0
   60    56    55    51   1.10000 -1.0 2.0
   55    63    60    41   4.00000 -1.0 2.0
   46    53    49    50  10.50000 -1.0 2.0
   70    66    69    71  10.50000 -1.0 2.0
END
