* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    137    201     393
    1     0 S   NP   _N1_     1    29.57290    96.58894   -22.84035
    2     1 S   H    _HN1     2     1.02848    74.30742    25.72234
    3     1 S   H    _H1_     3     1.02958    41.39117   167.60328
    4     1 S   H    _H2_     4     1.02786    95.60762   -81.71611
    5     1 S   CT   _CA1     5     1.50546   146.98198   130.77264
    6     5 S   HC   _HA1     6     1.09698   104.59665    88.49200
    7     5 S   CO3  _C1_     7     1.54466   110.81723   -27.19155
    8     7 S   O2Z  _O11     8     1.26011   116.78244  -120.10480
    9     7 S   O2Z  _O12     9     1.26591   113.73718    58.65564
   10     5 S   CT   _CB1    10     1.53154   106.95086  -155.48389
   11    10 S   HC   HB11    11     1.09826   110.00121   -41.96120
   12    10 S   HC   HB12    12     1.09770   110.29279    74.83958
   13    10 S   CT   _CG1    13     1.52908   112.13005  -162.52164
   14    13 S   HC   HG11    14     1.09451   110.63746   -56.95102
   15    13 S   HC   HG12    15     1.09569   109.67535    62.13048
   16    13 S   C    _CD1    16     1.51693   112.54380  -178.07970
   17    16 S   O    _OE1    17     1.22730   123.25565   -10.47516
   18    16 S   N    _N2_    18     1.38588   111.56133   170.10133
   19    18 S   H    _HN2    19     1.01549   118.95196     1.80353
   20    18 S   CT1  _CA2    20     1.46028   123.62725  -178.21370
   21    20 S   HC   _HA2    21     1.09695   109.14019   -15.04267
   22    20 S   C    _C2_    22     1.53510   109.01488  -131.29325
   23    22 S   O    _O2_    23     1.23101   121.98491  -155.14430
   24    20 S   CT   _CB2    32     1.53624   111.72802   107.03393
   25    24 S   HC   HB21    33     1.09546   109.65374    60.55350
   26    24 S   HC   HB22    34     1.09529   110.18508   179.15744
   27    22 S   N    _N3_    24     1.38309   114.10784    31.67797
   28    27 S   H    _HN3    25     1.01643   119.54392    -3.48234
   29    24 S   S    _SG2    35     1.82375   112.48732   -60.22686
   30    27 S   CT   _CA3    26     1.45306   122.82923   177.93256
   31    30 S   HC   HA31    27     1.09558   107.42142   -64.99290
   32    30 S   HC   HA32    28     1.09570   107.95562    51.31752
   33    29 S   CT   _C19    36     1.83215    99.19642   178.91088
   34    33 S   F    F1__    37     1.36516   109.31709   -42.69467
   35    33 S   F    F2__    38     1.36668   107.81527    70.40206
   36    30 S   CO3  _C3_    29     1.52854   114.46231   173.22766
   37    36 S   O2Z  _O31    30     1.26350   116.16715    -4.37761
   38    36 S   O2Z  _O32    31     1.26430   114.42048   175.80623
   39    33 S   CA   _C18    39     1.51540   110.02924  -166.76579
   40    39 S   CA   _C17    40     1.40554   119.05326   -95.17142
   41    40 S   HA   _H21    41     1.08773   120.37468    -1.17136
   42    40 S   CA   _C16    42     1.39334   120.77199   178.48238
   43    42 S   HA   _H20    43     1.08615   120.05610  -180.00000
   44    42 S   CA   _C15    44     1.39070   119.84796    -0.27196
   45    44 S   HA   _H19    45     1.08651   119.92461  -179.82306
   46    44 S   CA   _C14    46     1.39613   120.21240     0.06256
   47    46 S   HA   _H18    47     1.08549   117.60809  -179.84677
   48    39 S   CA   _C13    48     1.41120   121.80086    82.97024
   49    48 S   OS   _O34    49     1.37070   115.99739     1.86225
   50    49 S   CT   _C12    50     1.42621   118.12059  -175.38476
   51    50 S   HC   _H16    51     1.09647   110.16600    61.61292
   52    50 S   HC   _H17    52     1.09626   110.16089   -59.76179
   53    50 S   CT   _C11    53     1.52617   108.66078  -178.07929
   54    53 S   HC   _H14    54     1.09748   109.64522    60.22279
   55    53 S   HC   _H15    55     1.09657   109.77753   176.72386
   56    53 S   CT   _C10    56     1.52729   112.92755   -60.69816
   57    56 S   HC   _H12    57     1.09629   110.09854    60.89146
   58    56 S   HC   _H13    58     1.09620   109.76049   -58.99412
   59    56 S   OS   _O33    59     1.43659   107.49190  -178.86478
   60    59 S   CA   _C7_    60     1.36590   110.64917   179.54286
   61    60 S   CA   _C6_    61     1.38668   121.07020   -97.68823
   62    61 S   NB   _N5_    62     1.35234   121.69428  -179.16631
   63    61 S   CT   _C5_    72     1.50579   122.24406    -0.86275
   64    63 S   HC   _H6_    73     1.09515   110.49362    42.44556
   65    63 S   HC   _H7_    74     1.09669   109.06126   158.80291
   66    62 S   CQ   _C9_    63     1.34821   117.64297    -0.06853
   67    63 S   CT   _C4_    75     1.52104   111.80527   -80.72531
   68    67 S   HC   _H3_    76     1.09538   111.15177   -58.53730
   69    67 S   HC   _H4_    77     1.09459   110.19704  -178.33658
   70    67 S   HC   _H5_    78     1.09503   111.47855    61.80202
   71    66 S   NB   _N4_    64     1.34937   123.76838     1.76569
   72    66 S   NE   _N6_    69     1.38078   118.07602  -177.17305
   73    72 S   H    _H8_    70     1.00881   119.76422     0.51014
   74    72 S   H    _H9_    71     1.01378   119.41556   174.19735
   75    60 S   CA   _C8_    65     1.38796   121.41141    86.58228
   76    75 S   NE   _N7_    66     1.39041   120.79155    -2.64345
   77    76 S   H    _H10    67     1.01215   118.48240    28.56125
   78    76 S   H    _H11    68     1.01227   117.09716  -179.84423
  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   6   5   4   3
   9   4   3   2   1   1  10   8   4   6   3   5   3   4   2   5
   7   9   5   4   7   5   4   6   3   2   7  12  13  10   8   5
   4   6   3   2   1   1   7   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49    50  
   41    42    43    44    45    46    48    49  
   42    43    44    48  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53    54    55    56    57    58    59  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    75  
   58    59    60  
   59    60  
   60    61    62    71    75    76    63  
   61    62    66    71    75    76    77    78    63    64    65    67  
   62    66    71    75    76    72    63    64    65    67    68    69    70  
   66    71    75    72    73    74    63    64    65    67  
   64    65    67    68    69    70    66    75  
   65    67    68    69    70  
   67    68    69    70  
   71    75    76    72    73    74  
   68    69    70  
   69    70  
   70  
    0  
   75    76    77    78    72    73    74  
   73    74    75  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.392000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.549000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   1.042000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   72   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   73   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   450.000  1.364
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   320.000  1.410
   59    60   450.000  1.364
   60    61   469.000  1.400
   60    75   469.000  1.400
   61    62   483.000  1.339
   61    63   317.000  1.510
   62    66   502.000  1.324
   66    71   502.000  1.324
   66    72   410.000  1.375
   71    75   483.000  1.339
   75    76   481.000  1.340
   76    77   434.000  1.010
   76    78   434.000  1.010
   72    73   434.000  1.010
   72    74   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    46    63.00000  120.00000
   39    48    49    70.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  120.00000
   48    39    40    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    75.00000  111.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    53    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    75.00000  111.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    70.00000  120.00000
   59    60    75    70.00000  120.00000
   60    61    62    70.00000  124.00000
   60    61    63    70.00000  120.00000
   60    75    71    70.00000  124.00000
   60    75    76    70.00000  120.10000
   61    62    66    70.00000  118.60000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    67    70.00000  112.17500
   62    66    71    70.00000  129.10000
   62    66    72    85.00000  116.09700
   66    71    75    70.00000  118.60000
   66    72    73    50.00000  113.31100
   66    72    74    50.00000  113.31100
   71    75    76    80.00000  117.25000
   75    60    61    63.00000  120.00000
   75    76    77    35.00000  113.50000
   75    76    78    35.00000  113.50000
   78    76    77    35.00000  109.00000
   72    66    71    85.00000  116.09700
   74    72    73    35.00000  109.00000
   63    61    62    75.00000  115.74700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    46   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   39    48    49    50   1.63200 -1.0 2.0
   40    39    48    46   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -48    39   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   1.63200 -1.0 2.0
   47    46    48    39   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   48    49    50    51   0.08050  1.0 3.0
   48    49    50    52   0.08050  1.0 3.0
   48    49    50    53  -0.32850  1.0 1.0
   48    49    50    53  -0.35800 -1.0 2.0
   48    49    50    53   0.33950  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.62750  1.0 1.0
   49    50    53    56  -0.30950 -1.0 2.0
   49    50    53    56   0.27300  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    59   0.62750  1.0 1.0
   50    53    56    59  -0.30950 -1.0 2.0
   50    53    56    59   0.27300  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    59    60  -0.32850  1.0 1.0
   53    56    59    60  -0.35800 -1.0 2.0
   53    56    59    60   0.33950  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.23400  1.0 3.0
   56    59    60    61   1.63200 -1.0 2.0
   56    59    60    75   1.63200 -1.0 2.0
   57    56    59    60   0.08050  1.0 3.0
   58    56    59    60   0.08050  1.0 3.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    63   3.62500 -1.0 2.0
   59    60    75    71   3.62500 -1.0 2.0
   59    60    75    76   3.62500 -1.0 2.0
   60    61    62    66   3.62500 -1.0 2.0
   60    61    63    64   0.00000  1.0 1.0
   60    61    63    65   0.00000  1.0 1.0
   60    61    63    67   0.04150 -1.0 2.0
   60    75    76    77   1.00000 -1.0 2.0
   60    75    76    78   1.00000 -1.0 2.0
   61    60    75    71   3.62500 -1.0 2.0
   61    60    75    76   3.62500 -1.0 2.0
   61    62   -66    71   3.62500 -1.0 2.0
   61    62    66    72   3.62500 -1.0 2.0
   61    63    67    68   0.43200  1.0 3.0
   61    63    67    69   0.43200  1.0 3.0
   61    63    67    70   0.43200  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    67   0.29300  1.0 1.0
   62    61    63    67  -1.19700 -1.0 2.0
   62    61    63    67   0.60900  1.0 3.0
   62    66    71    75   3.62500 -1.0 2.0
   62    66    72    73   1.75000 -1.0 2.0
   62    66    72    74   1.75000 -1.0 2.0
   66    71   -75    60   3.62500 -1.0 2.0
   66    71    75    76   3.62500 -1.0 2.0
   71    66    72    73   1.75000 -1.0 2.0
   71    66    72    74   1.75000 -1.0 2.0
   71    75    76    77   1.75000 -1.0 2.0
   71    75    76    78   1.75000 -1.0 2.0
   75    60   -61    62   3.62500 -1.0 2.0
   75    60    61    63   3.62500 -1.0 2.0
   72    66    71    75   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    69   0.15000  1.0 3.0
   65    63    67    70   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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   46    49    48    39   4.00000 -1.0 2.0
   61    75    60    59   4.00000 -1.0 2.0
   63    62    61    60   4.00000 -1.0 2.0
   71    72    66    62   4.00000 -1.0 2.0
   71    76    75    60   4.00000 -1.0 2.0
   78    75    76    77   1.00000 -1.0 2.0
   74    66    72    73   1.00000 -1.0 2.0
END
