* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56    100    159     295
    1     0 S   NP   _N1_     1    31.00300    99.93133   -21.96957
    2     1 S   H    _HN1     2     1.02857    66.31553   -98.38649
    3     1 S   H    _H1_     3     1.02724    65.23152   137.45526
    4     1 S   H    _H2_     4     1.03468   167.08772  -163.56794
    5     1 S   CT   _CA1     5     1.50198    80.77029    19.07428
    6     5 S   HC   _HA1     6     1.09526   104.96854   115.31298
    7     5 S   CO3  _C1_     7     1.53748   113.20976    -5.42155
    8     7 S   O2Z  _O11     8     1.26452   115.04513   -30.14458
    9     7 S   O2Z  _O12     9     1.26227   115.20377   149.30864
   10     5 S   CT   _CB1    10     1.52960   107.30679  -126.14051
   11    10 S   HC   HB11    11     1.09516   109.30120   -39.36315
   12    10 S   HC   HB12    12     1.09834   110.53199    76.19978
   13    10 S   CT   _CG1    13     1.53237   113.06402  -161.79009
   14    13 S   HC   HG11    14     1.09534   110.89339   -92.29380
   15    13 S   HC   HG12    15     1.09532   111.56620    27.11503
   16    13 S   C    _CD1    16     1.51502   109.49129   147.29634
   17    16 S   O    _OE1    17     1.22793   122.08760    96.92654
   18    16 S   N    _N2_    18     1.38518   112.36384   -79.99220
   19    18 S   H    _HN2    19     1.01881   118.90661    -5.03384
   20    18 S   CT1  _CA2    20     1.45959   123.11925   171.53787
   21    20 S   HC   _HA2    21     1.09675   108.80168    30.62511
   22    20 S   C    _C2_    22     1.53297   108.51051   -86.03507
   23    22 S   O    _O2_    23     1.23117   121.12973   151.13859
   24    20 S   CT   _CB2    32     1.53182   111.87785   154.29199
   25    24 S   HC   HB21    33     1.09445   109.55088    58.24373
   26    24 S   HC   HB22    34     1.09548   110.14382   176.17899
   27    22 S   N    _N3_    24     1.38418   114.42282   -36.35795
   28    27 S   H    _HN3    25     1.01584   119.36217     2.27813
   29    24 S   S    _SG2    35     1.82906   111.23255   -63.97547
   30    27 S   CT   _CA3    26     1.45288   123.29393  -177.65198
   31    30 S   HC   HA31    27     1.09561   108.22872   -44.62284
   32    30 S   HC   HA32    28     1.09546   107.20316    71.74165
   33    29 S   CT   _C12    36     1.85830   100.59047   153.62567
   34    30 S   CO3  _C3_    29     1.53061   114.46683  -166.89107
   35    34 S   O2Z  _O31    30     1.26421   116.41769     1.01085
   36    34 S   O2Z  _O32    31     1.26446   114.36686  -179.23741
   37    33 S   NT   _N4_    37     1.47615   112.26536   -56.98822
   38    37 S   H    _H3_    38     1.02088   108.22268   160.83333
   39    33 S   CM   _C8_    51     1.50329   107.77053    69.35173
   40    39 S   HC   _H8_    52     1.09065   115.89091   -76.60199
   41    37 S   CT1  _C4_    39     1.48885   106.84610   -83.44538
   42    41 S   HC   _H4_    40     1.09770   108.90354  -142.17113
   43    41 S   CT   _C6_    41     1.53289   107.14098   -23.62384
   44    43 S   HC   _H5_    42     1.09569   110.51297  -113.71817
   45    43 S   HC   _H6_    43     1.09344   113.56737   123.45525
   46    41 S   CO3  _C5_    53     1.54780   107.94073   103.58482
   47    46 S   O2Z  _O1_    54     1.26649   116.04905    42.48526
   48    46 S   O2Z  _O33    55     1.26383   115.66976  -139.27756
   49    33 S   CM   _C10    44     1.49140   108.32051  -169.43182
   50    49 S   CM   _C7_    45     1.33501   124.05573  -102.05525
   51    50 S   HC   _H7_    46     1.08305   122.59097  -177.40822
   52    50 S   CO4  _C11    47     1.48500   119.44319    -0.58249
   53    52 S   O    _O4_    48     1.23049   118.44850   166.34627
   54    52 S   CMA  _C9_    49     1.52481   118.55413   -16.69510
   55    54 S   OM   _O3_    50     1.26219   115.41475  -164.34203
  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
  16   2   1   1  14   6   9   4   9   7   9   4   3   3   1   1
   5   5   3   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    43    49    50    54    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    49    50    51    52    54    55    39    40    46  
   35    36  
   36  
    0  
   38    41    42    43    44    45    49    50    54    39    40    46    47    48  
   41    42    43    49    39    46  
   40    41    43    49    50    52    53    54    55  
   49    52    54    55  
   42    43    44    45    49    50    46    47    48  
   43    44    45    49    46    47    48  
   44    45    49    50    51    52    46    47    48  
   45    49    50    46  
   49    50    46  
   47    48    49  
   48  
    0  
   50    51    52    53    54  
   51    52    53    54    55  
   52    53    54  
   53    54    55  
   54    55  
   55  
    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   0.367500   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   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   38   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   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   382.000  1.448
   33    49   317.000  1.510
   33    39   317.000  1.510
   37    38   434.000  1.010
   37    41   305.000  1.457
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   549.000  1.340
   50    51   340.000  1.080
   50    52   320.000  1.462
   52    53   570.000  1.229
   52    54   270.000  1.476
   54    55   745.000  1.250
   54    39   465.000  1.376
   39    40   340.000  1.080
   46    47   656.000  1.250
   46    48   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    85.00000  109.00000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  109.50000
   33    37    41    51.80000  107.20000
   33    49    43    65.00000  117.92700
   33    49    50    70.00000  124.00000
   33    39    54    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    50.00000  109.55000
   37    41    43    80.00000  111.22000
   37    41    46    75.00000  111.54000
   41    37    38    50.00000  111.55300
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    49    70.00000  112.02700
   41    46    47    70.00000  117.00000
   41    46    48    70.00000  117.00000
   43    41    42    37.50000  110.70000
   43    49    50    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    33    37    75.00000  110.70900
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    52    65.00000  118.96000
   50    52    53    80.00000  123.72100
   50    52    54    65.00000  118.65900
   52    50    51    40.00000  117.72500
   52    54    55    85.00000  116.28000
   52    54    39    65.00000  114.61000
   54    52    53    80.00000  120.81000
   54    39    40    40.00000  120.50800
   39    33    37    75.00000  110.70900
   39    33    49    70.00000  110.12100
   39    54    55    65.00000  137.10300
   46    41    42    35.00000  109.50000
   46    41    43    63.00000  111.10000
   48    46    47    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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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  -0.05900  1.0 1.0
   29    33    37    38   0.08350 -1.0 2.0
   29    33    37    38   0.12500  1.0 3.0
   29    33    37    41   0.23200  1.0 1.0
   29    33    37    41   0.02100 -1.0 2.0
   29    33    37    41   0.24950  1.0 3.0
   29    33    49    43   0.30250  1.0 1.0
   29    33    49    43  -0.14950 -1.0 2.0
   29    33    49    43   0.36900  1.0 3.0
   29    33    49    50   0.42700  1.0 1.0
   29    33    49    50  -0.70350 -1.0 2.0
   29    33    49    50  -0.43150  1.0 3.0
   29    33    39    54   0.42700  1.0 1.0
   29    33    39    54  -0.70350 -1.0 2.0
   29    33    39    54  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   0.28000  1.0 3.0
   33    37   -41    43   0.23450  1.0 1.0
   33    37   -41    43   0.02050 -1.0 2.0
   33    37   -41    43   0.25250  1.0 3.0
   33    37    41    46  -1.76800  1.0 1.0
   33    37    41    46   1.02600 -1.0 2.0
   33    37    41    46   0.19700  1.0 3.0
   33    49    50    51   7.00000 -1.0 2.0
   33    49    50    52   7.00000 -1.0 2.0
   37    33   -49    43   0.52100  1.0 1.0
   37    33   -49    43  -0.20350 -1.0 2.0
   37    33   -49    43   0.29750  1.0 3.0
   37    33    49    50   0.90200  1.0 1.0
   37    33    49    50   0.57900 -1.0 2.0
   37    33    49    50  -0.62100  1.0 3.0
   37    33    39    54   0.90200  1.0 1.0
   37    33    39    54   0.57900 -1.0 2.0
   37    33    39    54  -0.62100  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    43    44   0.15000  1.0 3.0
   37    41    43    45   0.15000  1.0 3.0
   37    41   -43    49   0.59950  1.0 1.0
   37    41   -43    49  -0.21400 -1.0 2.0
   37    41   -43    49   0.56200  1.0 3.0
   37    41    46    47   0.30150 -1.0 2.0
   37    41    46    48   0.30150 -1.0 2.0
   38    37    41    42   0.20000  1.0 3.0
   38    37    41    43  -0.15950  1.0 1.0
   38    37    41    43   0.34650 -1.0 2.0
   38    37    41    43   0.05750  1.0 3.0
   38    37    41    46   0.21900  1.0 1.0
   38    37    41    46  -0.24900 -1.0 2.0
   38    37    41    46   0.15200  1.0 3.0
   41    43   -49    33   0.46850  1.0 1.0
   41    43   -49    33   0.08550 -1.0 2.0
   41    43   -49    33   0.09800  1.0 3.0
   41    43    49    50   0.09850  1.0 1.0
   41    43    49    50   0.15250 -1.0 2.0
   41    43    49    50  -0.50650  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    48   0.00000  1.0 1.0
   43    49    50    51   7.00000 -1.0 2.0
   43    49    50    52   7.00000 -1.0 2.0
   44    43    49    33   0.34800  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   45    43    49    33   0.34800  1.0 3.0
   45    43    49    50   0.00000  1.0 1.0
   49    33    37    38   0.12450  1.0 1.0
   49    33    37    38  -0.40750 -1.0 2.0
   49    33    37    38   0.30300  1.0 3.0
   49    33   -37    41  -0.60800  1.0 1.0
   49    33   -37    41   1.10050 -1.0 2.0
   49    33   -37    41   0.47000  1.0 3.0
   49    33    39    54  -0.28300  1.0 1.0
   49    33    39    54   0.26700 -1.0 2.0
   49    33    39    54  -0.63300  1.0 3.0
   49    33    39    40   0.00000  1.0 1.0
   49    50    52    53   1.00000 -1.0 2.0
   49    50   -52    54  -1.18350  1.0 1.0
   49    50   -52    54   1.45950 -1.0 2.0
   50    52    54    55   1.50000 -1.0 2.0
   50    52    54    39  -1.18350  1.0 1.0
   50    52    54    39   1.45950 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.93700 -1.0 2.0
   52    54   -39    33   7.00000 -1.0 2.0
   52    54    39    40   7.00000 -1.0 2.0
   53    52    54    55  -0.11900  1.0 1.0
   53    52    54    55   0.76850 -1.0 2.0
   53    52    54    55   0.14100  1.0 3.0
   53    52    54    39   1.00000 -1.0 2.0
   55    54    39    33   7.00000 -1.0 2.0
   55    54    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.12450  1.0 1.0
   39    33    37    38  -0.40750 -1.0 2.0
   39    33    37    38   0.30300  1.0 3.0
   39    33    37    41  -0.60800  1.0 1.0
   39    33    37    41   1.10050 -1.0 2.0
   39    33    37    41   0.47000  1.0 3.0
   39    33    49    43   0.09700  1.0 1.0
   39    33    49    43   0.15600 -1.0 2.0
   39    33    49    43  -0.50800  1.0 3.0
   39    33   -49    50  -0.28300  1.0 1.0
   39    33   -49    50   0.26700 -1.0 2.0
   39    33   -49    50  -0.63300  1.0 3.0
   46    41    43    44  -0.03800  1.0 3.0
   46    41    43    45  -0.03800  1.0 3.0
   46    41    43    49  -0.98800  1.0 1.0
   46    41    43    49   0.48800 -1.0 2.0
   46    41    43    49   0.76800  1.0 3.0
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    43    49    50   1.10000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   52    55    54    39   1.10000 -1.0 2.0
   33    40    39    54   1.10000 -1.0 2.0
   47    41    46    48  10.50000 -1.0 2.0
END
