* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    143     277
    1     0 S   NP   _N1_     1    28.04227    95.65120   -23.08026
    2     1 S   H    _HN1     2     1.02776   103.17487  -117.26142
    3     1 S   H    _H1_     3     1.02956    83.32998    -9.92224
    4     1 S   H    _H2_     4     1.02834    27.68645   139.25428
    5     1 S   CT   _CA1     5     1.50151   134.35485   102.14882
    6     5 S   HC   _HA1     6     1.09576   105.19118    76.64290
    7     5 S   CO3  _C1_     7     1.53759   112.31045   -43.50284
    8     7 S   O2Z  _O11     8     1.26367   114.98467   -44.50221
    9     7 S   O2Z  _O12     9     1.26226   114.91283   134.44596
   10     5 S   CT   _CB1    10     1.53076   107.40040  -165.49204
   11    10 S   HC   HB11    11     1.09832   109.25909   -50.46045
   12    10 S   HC   HB12    12     1.09814   110.45888    66.06095
   13    10 S   CT   _CG1    13     1.53047   112.73235  -171.51747
   14    13 S   HC   HG11    14     1.09590   110.54623   -65.77259
   15    13 S   HC   HG12    15     1.09659   109.88030    53.46349
   16    13 S   C    _CD1    16     1.51858   112.18262   173.78555
   17    16 S   O    _OE1    17     1.22773   123.23397     3.31115
   18    16 S   N    _N2_    18     1.38568   111.84663  -176.63326
   19    18 S   H    _HN2    19     1.01562   119.12568     3.47345
   20    18 S   CT1  _CA2    20     1.45842   122.71000   177.35174
   21    20 S   HC   _HA2    21     1.09727   108.85249    26.53750
   22    20 S   C    _C2_    22     1.52946   106.85410   -90.58042
   23    22 S   O    _O2_    23     1.22996   122.99614   -28.49360
   24    20 S   CT   _CB2    32     1.53277   112.49455   149.79594
   25    24 S   HC   HB21    33     1.09539   109.83985    55.09135
   26    24 S   HC   HB22    34     1.09424   109.68326   173.87266
   27    22 S   N    _N3_    24     1.38491   112.65809   154.27194
   28    27 S   H    _HN3    25     1.01666   120.39217    -2.11118
   29    24 S   S    _SG2    35     1.82720   111.00344   -65.25110
   30    27 S   CT   _CA3    26     1.45359   122.38085   178.62314
   31    30 S   HC   HA31    27     1.09571   107.69774   -57.62101
   32    30 S   HC   HA32    28     1.09566   107.69389    58.67450
   33    29 S   CT   _C5_    36     1.85386   101.76140  -169.65799
   34    30 S   CO3  _C3_    29     1.52866   114.41456  -179.53480
   35    34 S   O2Z  _O31    30     1.26314   116.08582    -2.18624
   36    34 S   O2Z  _O32    31     1.26446   114.39582   177.83644
   37    33 S   CM   _C6_    37     1.49403   108.21950    73.14745
   38    37 S   HC   _H8_    38     1.08326   123.47451   -77.68071
   39    33 S   CT   _C4_    50     1.53068   111.58864   -50.69439
   40    39 S   HC   _H5_    51     1.09445   111.98033   -51.77964
   41    39 S   HC   _H6_    52     1.09674   111.32769  -172.07937
   42    39 S   HC   _H7_    53     1.09592   112.05152    69.45301
   43    37 S   CMA  _C7_    39     1.34352   112.64868   101.45724
   44    43 S   OM   _O36    40     1.26147   127.29396  -178.61111
   45    43 S   OS   _O33    41     1.42006   109.23113    -0.24787
   46    33 S   CT   _C8_    42     1.55079   113.90335  -178.79147
   47    46 S   HC   _H3_    43     1.10135   109.57313   160.26973
   48    46 S   CT   _C9_    44     1.53346   118.27435    34.86268
   49    48 S   Cl   Cl1_    45     1.80823   109.70704   179.38866
   50    48 S   HC   _H4_    46     1.09429   111.05560   -66.00819
   51    48 S   CO3  _C10    47     1.53284   114.95196    61.28160
   52    51 S   O2Z  _O35    48     1.26361   116.05015    42.62094
   53    51 S   O2Z  _O34    49     1.26458   114.77349  -137.81267
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  15   2   1   1  11   5   8   3   2   1   5   2   6   7   4   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    46    47    48    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    48    49    50    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    39    40    41    42  
   43    44    45    46    39  
   40    41    42    43    45    46    47    48  
   41    42    46  
   42    46  
   46  
   44    45    46    47    48  
   45    46  
   46    47    48    49    50    51  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.080000   2.1950   1.9500   0.001000000   0.320982824
   50   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.586000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    46   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   440.000  1.360
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   245.000  1.781
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    46    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    46    45    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    80.00000  120.01400
   43    37    38    40.00000  120.50800
   43    45    46    90.00000  111.18400
   45    43    44    65.00000  121.00000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   46    33    37    70.00000  112.02700
   46    48    49    69.00000  109.80000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  109.69300
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  117.00000
   48    51    53    70.00000  117.00000
   50    48    49    51.00000  107.60000
   51    48    49    69.00000  109.80000
   51    48    50    35.00000  109.50000
   53    51    52    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    33    46    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37   -43    45   7.00000 -1.0 2.0
   33    46    48    49   0.35600  1.0 1.0
   33    46    48    49  -0.14650 -1.0 2.0
   33    46    48    49   0.33350  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51  -1.63150  1.0 1.0
   33    46    48    51  -0.43550 -1.0 2.0
   33    46    48    51   0.24500  1.0 3.0
   37    33   -46    45   0.61850  1.0 1.0
   37    33   -46    45  -0.22750 -1.0 2.0
   37    33   -46    45   0.15300  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    48   0.34400  1.0 1.0
   37    33    46    48   0.09450 -1.0 2.0
   37    33    46    48   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43   -45    46  -2.26850  1.0 1.0
   37    43   -45    46   3.39050 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45   -46    33  -0.46850  1.0 1.0
   43    45   -46    33   0.09300 -1.0 2.0
   43    45   -46    33  -0.12850  1.0 3.0
   43    45    46    47   0.08050  1.0 3.0
   43    45    46    48  -0.46850  1.0 1.0
   43    45    46    48   0.09300 -1.0 2.0
   43    45    46    48  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   45    46    48    49   0.56750  1.0 1.0
   45    46    48    49  -0.07550 -1.0 2.0
   45    46    48    49   0.20000  1.0 3.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51  -3.35100  1.0 1.0
   45    46    48    51  -0.37050 -1.0 2.0
   45    46    48    51   0.22400  1.0 3.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    43   0.09850  1.0 1.0
   46    33   -37    43   0.15250 -1.0 2.0
   46    33   -37    43  -0.50650  1.0 3.0
   46    33    39    40   0.15000  1.0 3.0
   46    33    39    41   0.15000  1.0 3.0
   46    33    39    42   0.15000  1.0 3.0
   46    48    51    52   0.41150 -1.0 2.0
   46    48    51    53   0.41150 -1.0 2.0
   47    46    48    49   0.27000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51  -0.11250  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    46    45   0.62750  1.0 1.0
   39    33    46    45  -0.30950 -1.0 2.0
   39    33    46    45   0.27300  1.0 3.0
   39    33    46    47   0.15000  1.0 3.0
   39    33    46    48   0.56750  1.0 1.0
   39    33    46    48  -0.07550 -1.0 2.0
   39    33    46    48   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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
END
