* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    105    149     300
    1     0 S   NP   _N1_     1    30.10051    91.50186   -19.98889
    2     1 S   H    _HN1     2     1.02756     7.85533    71.47690
    3     1 S   H    _H1_     3     1.03503   105.50397   -35.31527
    4     1 S   H    _H2_     4     1.03331   114.95120    79.84879
    5     1 S   CT   _CA1     5     1.50163   106.10928  -154.92917
    6     5 S   HC   _HA1     6     1.09686   104.60324    54.96700
    7     5 S   CO3  _C1_     7     1.54284   111.29958   -61.10953
    8     7 S   O2Z  _O11     8     1.26102   116.68437  -114.76142
    9     7 S   O2Z  _O12     9     1.26592   113.92453    64.47698
   10     5 S   CT   _CB1    10     1.52933   106.97619   170.69557
   11    10 S   HC   HB11    11     1.09794   109.48438   -44.76780
   12    10 S   HC   HB12    12     1.09750   110.23158    71.70250
   13    10 S   CT   _CG1    13     1.52936   113.16997  -165.04321
   14    13 S   HC   HG11    14     1.09461   111.76708   -64.40240
   15    13 S   HC   HG12    15     1.09600   110.75773    55.09877
   16    13 S   C    _CD1    16     1.51385   109.34121   174.06251
   17    16 S   O    _OE1    17     1.22867   121.70579   -92.56681
   18    16 S   N    _N2_    18     1.38491   113.11771    85.46510
   19    18 S   H    _HN2    19     1.01599   119.10269     5.65929
   20    18 S   CT1  _CA2    20     1.46046   123.07409  -175.62198
   21    20 S   HC   _HA2    21     1.09624   108.88026    12.23962
   22    20 S   C    _C2_    22     1.53666   110.53533  -103.45460
   23    22 S   O    _O2_    23     1.23166   121.74303  -153.40617
   24    20 S   CT   _CB2    32     1.53587   111.90469   133.73268
   25    24 S   HC   HB21    33     1.09694   109.22999    70.34570
   26    24 S   HC   HB22    34     1.09515   110.58907  -173.35444
   27    22 S   N    _N3_    24     1.38156   114.48055    34.00729
   28    27 S   H    _HN3    25     1.01548   119.84508    -3.57982
   29    24 S   S    _SG2    35     1.82972   116.03873   -48.91260
   30    27 S   CT   _CA3    26     1.45331   122.93173   176.87444
   31    30 S   HC   HA31    27     1.09558   107.56898   -62.51860
   32    30 S   HC   HA32    28     1.09565   107.87128    53.84480
   33    29 S   CT   _C7_    36     1.83786   101.60919   -59.31700
   34    33 S   HC   _H4_    37     1.09260   108.17881    51.75628
   35    30 S   CO3  _C3_    29     1.52899   114.27682   175.83962
   36    35 S   O2Z  _O31    30     1.26335   116.09039     0.49099
   37    35 S   O2Z  _O32    31     1.26442   114.39115  -179.47961
   38    33 S   CT   _C6_    38     1.51824   111.84636   -72.66818
   39    38 S   HC   _H9_    39     1.09378   115.78110    34.38580
   40    38 S   HC   _H10    40     1.09846   108.32882   153.25713
   41    38 S   CT   _C5_    41     1.52725   104.67419   -91.62895
   42    41 S   HC   _H3_    42     1.09609   109.98662  -130.42454
   43    41 S   OS   _O33    43     1.43668   107.35263   -13.20714
   44    41 S   CT   _C4_    54     1.51992   113.76296   107.26685
   45    44 S   HC   _H6_    55     1.09426   111.61606   -61.66947
   46    44 S   HC   _H7_    56     1.09545   110.16469  -179.61948
   47    44 S   HC   _H8_    57     1.09408   111.22289    59.99990
   48    33 S   CT   _C8_    44     1.53312   113.70041   173.61107
   49    48 S   HC   _H5_    45     1.09888   109.07769  -163.55118
   50    48 S   CT   _C9_    46     1.52289   116.84050   -39.45025
   51    50 S   HC   _H11    47     1.09420   111.73695    76.39982
   52    50 S   HC   _H12    48     1.09156   110.04644   -45.68290
   53    50 S   OS   _O34    49     1.42645   109.45098  -165.36439
   54    53 S   P3   _P1_    50     1.65090   117.78168   151.37604
   55    54 S   O2Z  _O36    51     1.52343   103.93221   170.55088
   56    54 S   O2Z  _O37    52     1.52661   104.79892    50.11907
   57    54 S   O2Z  _O35    53     1.52697   104.46722   -69.49477
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  12   6   5   9   6  10   4   2   1   1   6
   4   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    51    52    53    44  
   38    39    40    41    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    50    44    45    46    47  
   40    41    42    43    48    44  
   41    42    43    48    44  
   42    43    48    49    50    44    45    46    47  
   43    48    44    45    46    47  
   48    49    50    51    52    53    44    45    46    47  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    53    54  
   50    51    52    53  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   320.000  1.410
   41    44   268.000  1.529
   43    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   320.000  1.410
   53    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    48    43    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    50.00000  109.50000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    48    60.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   43    41    42    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54    80.00000  112.68000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55   100.00000  107.00000
   53    54    56   100.00000  107.00000
   53    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   44    41    42    37.50000  110.70000
   44    41    43    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.62750  1.0 1.0
   33    38   -41    43  -0.30950 -1.0 2.0
   33    38   -41    43   0.27300  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52   0.15000  1.0 3.0
   33    48    50    53   0.62750  1.0 1.0
   33    48    50    53  -0.30950 -1.0 2.0
   33    48    50    53   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    43   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33   -48    43   0.62750  1.0 1.0
   38    33   -48    43  -0.30950 -1.0 2.0
   38    33   -48    43   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.56750  1.0 1.0
   38    33    48    50  -0.07550 -1.0 2.0
   38    33    48    50   0.20000  1.0 3.0
   38    41   -43    48   0.06250  1.0 1.0
   38    41   -43    48  -0.01100 -1.0 2.0
   38    41   -43    48   0.28050  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    43   -48    33   0.06250  1.0 1.0
   41    43   -48    33  -0.01100 -1.0 2.0
   41    43   -48    33   0.28050  1.0 3.0
   41    43    48    49   0.37050  1.0 3.0
   41    43    48    50   0.06250  1.0 1.0
   41    43    48    50  -0.01100 -1.0 2.0
   41    43    48    50   0.28050  1.0 3.0
   42    41    43    48   0.37050  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.23400  1.0 3.0
   43    41    44    46   0.23400  1.0 3.0
   43    41    44    47   0.23400  1.0 3.0
   43    48    50    51   0.23400  1.0 3.0
   43    48    50    52   0.23400  1.0 3.0
   43    48    50    53   1.11900  1.0 1.0
   43    48    50    53  -1.16350 -1.0 2.0
   43    48    50    53  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.56750  1.0 1.0
   48    33   -38    41  -0.07550 -1.0 2.0
   48    33   -38    41   0.20000  1.0 3.0
   48    50    53    54  -2.65550  1.0 1.0
   48    50    53    54  -0.22350 -1.0 2.0
   48    50    53    54   0.24150  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.23400  1.0 3.0
   50    53    54    55   0.00000  1.0 1.0
   50    53    54    56   0.00000  1.0 1.0
   50    53    54    57   0.00000  1.0 1.0
   51    50    53    54   0.03000  1.0 3.0
   52    50    53    54   0.03000  1.0 3.0
   44    41    43    48   0.06250  1.0 1.0
   44    41    43    48  -0.01100 -1.0 2.0
   44    41    43    48   0.28050  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
   36    30    35    37  10.50000 -1.0 2.0
END
