* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    190     359
    1     0 S   NP   _N1_     1    29.77277    93.58698   -25.00783
    2     1 S   H    _HN1     2     1.02829    16.69545   178.50407
    3     1 S   H    _H1_     3     1.02791   113.96970  -109.69003
    4     1 S   H    _H2_     4     1.02949    90.36680     0.68614
    5     1 S   CT   _CA1     5     1.50108   118.94753   114.39820
    6     5 S   HC   _HA1     6     1.09570   105.19469    75.26293
    7     5 S   CO3  _C1_     7     1.53790   112.51452   -45.00358
    8     7 S   O2Z  _O11     8     1.26370   115.00527   -41.16985
    9     7 S   O2Z  _O12     9     1.26241   114.94645   137.97455
   10     5 S   CT   _CB1    10     1.53060   107.43086  -166.69054
   11    10 S   HC   HB11    11     1.09836   109.42557   -49.22491
   12    10 S   HC   HB12    12     1.09794   110.39860    67.35902
   13    10 S   CT   _CG1    13     1.52997   112.61091  -170.16431
   14    13 S   HC   HG11    14     1.09572   110.69848   -65.58615
   15    13 S   HC   HG12    15     1.09660   109.76996    53.71272
   16    13 S   C    _CD1    16     1.51714   112.09532   174.27454
   17    16 S   O    _OE1    17     1.22793   123.22504     9.64728
   18    16 S   N    _N2_    18     1.38775   111.80770  -170.73643
   19    18 S   H    _HN2    19     1.01573   119.06107     2.68934
   20    18 S   CT1  _CA2    20     1.46057   123.17222   178.17694
   21    20 S   HC   _HA2    21     1.09494   109.03865     8.62243
   22    20 S   C    _C2_    22     1.53626   109.18077  -106.50861
   23    22 S   O    _O2_    23     1.23081   122.16560  -147.66453
   24    20 S   CT   _CB2    32     1.53436   112.16877   130.59518
   25    24 S   HC   HB21    33     1.09652   109.75105    67.06787
   26    24 S   HC   HB22    34     1.09598   110.22548  -175.98146
   27    22 S   N    _N3_    24     1.38281   113.86602    39.62279
   28    27 S   H    _HN3    25     1.01532   119.67510    -2.36546
   29    24 S   S    _SG2    35     1.83088   115.93538   -53.38563
   30    27 S   CT   _CA3    26     1.45279   123.28371   177.23232
   31    30 S   HC   HA31    27     1.09545   107.46235   -66.40030
   32    30 S   HC   HA32    28     1.09555   108.06710    50.08169
   33    29 S   CT   _C13    36     1.82544   100.14677   -52.84687
   34    33 S   HC   _H13    37     1.08883   107.23869    67.99404
   35    33 S   HC   _H14    38     1.09499   108.41910   -50.19046
   36    30 S   CO3  _C3_    29     1.52980   114.01682   172.16784
   37    36 S   O2Z  _O31    30     1.26387   116.07929     0.59676
   38    36 S   O2Z  _O32    31     1.26429   114.42396  -179.32103
   39    33 S   CT   _C12    39     1.53638   110.71983  -171.35953
   40    39 S   HC   _H5_    40     1.09682   111.00588   -44.94676
   41    39 S   CT   _C11    41     1.54576   111.28424  -168.33752
   42    41 S   HC   _H4_    42     1.09151   107.58639   -62.60595
   43    39 S   OH   _O34    67     1.43340   107.51287    72.76267
   44    43 S   HO   _H15    68     0.97331   107.05957   -58.92202
   45    41 S   CDS  _C10    43     1.54119   114.83598    59.91678
   46    45 S   SD   _S1_    44     1.69713   121.84471    55.07958
   47    41 S   SH   _S2_    65     1.84039   111.31567  -176.27464
   48    47 S   HS   _H16    66     1.34060    96.68996   163.26395
   49    45 S   CT   _C5_    45     1.53772   119.85784  -125.23330
   50    49 S   HC   _H3_    46     1.09769   108.40786   176.34323
   51    49 S   CT   _C4_    47     1.54370   112.94660   -65.42913
   52    51 S   HC   _H6_    48     1.09714   108.64124  -149.99855
   53    51 S   HC   _H7_    49     1.09476   111.48153   -32.55536
   54    51 S   NE   _N8_    50     1.45727   112.45736    91.38525
   55    54 S   H    _H12    51     1.01405   118.60387  -164.00964
   56    54 S   CM   _C7_    52     1.38552   123.10129    31.45932
   57    56 S   CM   _C6_    53     1.35194   118.35688   -13.93094
   58    57 S   C    _C9_    54     1.50614   119.07097   179.74283
   59    58 S   O    _O33    55     1.22885   119.31242  -179.62102
   60    49 S   NE   _N4_    63     1.45819   109.53001    59.83874
   61    60 S   H    _H8_    64     1.01744   119.30468    71.40339
   62    58 S   NI   _N6_    56     1.38457   117.91714     0.70554
   63    62 S   CDX  _C8_    57     1.30477   119.33944    -0.21214
   64    56 S   NE   _N5_    58     1.37282   123.11154   166.70508
   65    64 S   H    _H9_    59     1.01189   116.95512    -0.11869
   66    63 S   NE   _N7_    60     1.36636   122.42217   179.93439
   67    66 S   H    _H10    61     1.01377   120.41456     0.00000
   68    66 S   H    _H11    62     1.01267   122.06616   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  10   6  11   6   3   1  12   5   2   1
  11   7   9   5   4   8   3  10   8   7   3   3   1   6   5   4
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    60    47    48    43    44  
   45    46    49    47    48    43  
   44    45    47  
    0  
   46    49    50    51    52    53    54    57    60    61    47    48  
   49    50    51    60    47  
   48    49  
    0  
   50    51    52    53    54    55    56    57    58    60    61  
   51    52    53    54    57    60    61  
   52    53    54    55    56    57    64    60    61  
   53    54    55    56    60  
   54    55    56    60  
   55    56    57    58    63    64    65    60  
   56    57    64  
   57    58    59    62    63    64    65    66    60    61  
   58    59    62    63    64    65    60    61  
   59    62    63    64    66    60    61  
   62    63    60  
   61    62    64  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68  
   65    66    67    68  
   66  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.476200   2.0020   1.7750   0.023028004  -0.852763146
   46   4.1000   0.3950  -0.476200   2.3050   2.0500   0.025682759  -1.666211680
   47   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   48   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   63   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   64   3.2500   0.1700  -0.507500   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   285.000  1.501
   41    47   222.000  1.810
   45    46   340.000  1.659
   45    49   285.000  1.501
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    60   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   382.000  1.448
   54    55   434.000  1.010
   54    56   425.000  1.378
   56    57   549.000  1.340
   56    64   425.000  1.378
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    62   415.000  1.368
   62    63   650.000  1.285
   63    64   445.000  1.380
   63    66   445.000  1.380
   64    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   60    61   434.000  1.010
   47    48   274.000  1.336
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    70.00000  110.64500
   39    41    47    50.00000  108.60000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    65.00000  123.03400
   41    45    49    65.00000  115.26000
   41    47    48    44.00000   96.00000
   45    41    42    45.00000  109.11000
   45    49    50    45.00000  109.11000
   45    49    51    70.00000  110.64500
   45    49    60    75.00000  111.62000
   49    45    46    65.00000  123.03400
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    80.00000  111.61500
   49    60    57    50.00000  121.00000
   49    60    61    35.00000  112.50000
   51    49    50    37.50000  110.70000
   51    54    55    35.00000  112.50000
   51    54    56    50.00000  121.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    70.00000  124.03900
   54    56    64    80.00000  126.31400
   56    54    55    35.00000  114.50000
   56    57    58    70.00000  118.70000
   56    57    60    70.00000  124.03900
   56    64    63    75.00000  119.57500
   56    64    65    35.00000  114.50000
   57    58    59    80.00000  125.30000
   57    58    62    75.00000  112.93000
   57    60    61    35.00000  114.50000
   58    62    63    75.00000  109.13600
   62    58    59    80.00000  126.08800
   62    63    64    75.00000  124.36500
   62    63    66    75.00000  124.36500
   63    64    65    35.00000  119.50000
   63    66    67    35.00000  119.50000
   63    66    68    35.00000  119.50000
   64    56    57    70.00000  124.03900
   66    63    64    85.00000  116.27000
   68    66    67    35.00000  109.00000
   60    49    50    35.00000  109.50000
   60    49    51    80.00000  111.61500
   60    57    58    70.00000  117.92000
   47    41    42    35.00000  109.50000
   47    41    45    70.00000  113.82000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45  -0.95700  1.0 1.0
   33    39    41    45  -0.18200 -1.0 2.0
   33    39    41    45   0.29450  1.0 3.0
   33    39    41    47   0.43650  1.0 1.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46  -0.72750  1.0 1.0
   39    41    45    46   0.84450 -1.0 2.0
   39    41    45    49   0.60050  1.0 1.0
   39    41    45    49   0.05600 -1.0 2.0
   39    41    45    49   0.26150  1.0 3.0
   39    41    47    48  -0.37950  1.0 1.0
   39    41    47    48  -0.15600 -1.0 2.0
   39    41    47    48   0.18750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45  -0.11250  1.0 3.0
   40    39    41    47   0.15000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.60050  1.0 1.0
   41    45    49    51   0.05600 -1.0 2.0
   41    45    49    51   0.26150  1.0 3.0
   41    45    49    60   0.65300  1.0 1.0
   41    45    49    60  -0.03850 -1.0 2.0
   41    45    49    60   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    47    48   0.22550  1.0 3.0
   45    41    47    48   0.00000  1.0 1.0
   45    49    51    52  -0.11250  1.0 3.0
   45    49    51    53  -0.11250  1.0 3.0
   45    49    51    54  -2.10200  1.0 1.0
   45    49    51    54  -0.31600 -1.0 2.0
   45    49    51    54   0.13050  1.0 3.0
   45    49    60    57  -0.12500  1.0 1.0
   45    49    60    57  -0.12500 -1.0 2.0
   45    49    60    57   0.25000  1.0 3.0
   45    49    60    61  -0.12500  1.0 1.0
   45    49    60    61  -0.12500 -1.0 2.0
   45    49    60    61   0.25000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51  -0.72750  1.0 1.0
   46    45    49    51   0.84450 -1.0 2.0
   46    45    49    60   0.00000  1.0 1.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.25450  1.0 1.0
   49    51    54    56  -0.61700 -1.0 2.0
   49    51    54    56  -0.23550  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.22950  1.0 3.0
   50    49    60    57   0.00000  1.0 1.0
   50    49    60    61   0.00000  1.0 1.0
   51    49    60    57   0.25450  1.0 1.0
   51    49    60    57  -0.61700 -1.0 2.0
   51    49    60    57  -0.23550  1.0 3.0
   51    49    60    61   0.00000  1.0 1.0
   51    54   -56    57  -0.54700  1.0 1.0
   51    54   -56    57   1.23000 -1.0 2.0
   51    54    56    64   1.00000 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    60   7.00000 -1.0 2.0
   54    56    64    63   1.00000 -1.0 2.0
   54    56    64    65   1.00000 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    64   1.00000 -1.0 2.0
   56    57    58    59   1.00000 -1.0 2.0
   56    57    58    62   0.50400  1.0 1.0
   56    57    58    62   1.60000 -1.0 2.0
   56    57    58    62  -0.01800  1.0 3.0
   56    57   -60    49  -0.54700  1.0 1.0
   56    57   -60    49   1.23000 -1.0 2.0
   56    57    60    61   1.00000 -1.0 2.0
   57    56    64    63  -0.54500  1.0 1.0
   57    56    64    63   1.14150 -1.0 2.0
   57    56    64    65   1.00000 -1.0 2.0
   57    58   -62    63   1.50000 -1.0 2.0
   58    57    60    49   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    62    63    64   6.00000 -1.0 2.0
   58    62    63    66   6.00000 -1.0 2.0
   59    58    62    63   3.09300 -1.0 2.0
   62    63   -64    56   1.00000 -1.0 2.0
   62    63    64    65   1.50000 -1.0 2.0
   62    63    66    67   1.50000 -1.0 2.0
   62    63    66    68   1.50000 -1.0 2.0
   64    56   -57    58   7.00000 -1.0 2.0
   64    56    57    60   7.00000 -1.0 2.0
   64    63    66    67   1.00000 -1.0 2.0
   64    63    66    68   1.00000 -1.0 2.0
   66    63    64    56   1.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
   60    49    51    52   0.22950  1.0 3.0
   60    49    51    53   0.22950  1.0 3.0
   60    49   -51    54   2.20050  1.0 1.0
   60    49   -51    54   0.63450 -1.0 2.0
   60    49   -51    54  -0.91300  1.0 3.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    62   1.50000 -1.0 2.0
   47    41    45    46   0.00000  1.0 1.0
   47    41    45    49   0.65300  1.0 1.0
   47    41    45    49  -0.03850 -1.0 2.0
   47    41    45    49   0.33900  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45  -0.09450  1.0 1.0
   43    39    41    45  -1.12950 -1.0 2.0
   43    39    41    45   0.54000  1.0 3.0
   43    39    41    47   0.56750  1.0 1.0
   43    39    41    47  -0.07550 -1.0 2.0
   43    39    41    47   0.20000  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
   41    49    45    46  10.50000 -1.0 2.0
   55    56    54    51   1.00000 -1.0 2.0
   54    64    56    57   1.10000 -1.0 2.0
   58    60    57    56   1.10000 -1.0 2.0
   57    62    58    59  10.50000 -1.0 2.0
   64    66    63    62  10.50000 -1.0 2.0
   65    63    64    56   1.00000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
   61    57    60    49   1.00000 -1.0 2.0
END
