* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     89    134     260
    1     0 S   NP   _N1_     1    28.88717    96.05265   -23.21072
    2     1 S   H    _HN1     2     1.02947    73.82968     3.44401
    3     1 S   H    _H1_     3     1.02828    36.06637   160.15776
    4     1 S   H    _H2_     4     1.02793   106.13651  -101.47605
    5     1 S   CT   _CA1     5     1.50116   136.97975   106.27069
    6     5 S   HC   _HA1     6     1.09574   105.17944    89.88016
    7     5 S   CO3  _C1_     7     1.53768   112.40408   -30.34637
    8     7 S   O2Z  _O11     8     1.26372   115.01402   -44.33065
    9     7 S   O2Z  _O12     9     1.26231   114.93121   134.68517
   10     5 S   CT   _CB1    10     1.53061   107.40413  -152.18358
   11    10 S   HC   HB11    11     1.09840   109.33443   -49.69879
   12    10 S   HC   HB12    12     1.09810   110.48398    66.88813
   13    10 S   CT   _CG1    13     1.53019   112.62965  -170.63859
   14    13 S   HC   HG11    14     1.09573   110.71286   -66.72190
   15    13 S   HC   HG12    15     1.09669   109.72093    52.52804
   16    13 S   C    _CD1    16     1.51814   112.00979   172.99739
   17    16 S   O    _OE1    17     1.22759   123.18061    11.05758
   18    16 S   N    _N2_    18     1.38631   111.81375  -168.92324
   19    18 S   H    _HN2    19     1.01587   119.08377     0.91257
   20    18 S   CT1  _CA2    20     1.46270   123.41826   176.98001
   21    20 S   HC   _HA2    21     1.09745   109.16735     8.15880
   22    20 S   C    _C2_    22     1.53747   109.25981  -107.32082
   23    22 S   O    _O2_    23     1.23094   122.19063  -152.53275
   24    20 S   CT   _CB2    32     1.53494   111.53182   129.99940
   25    24 S   HC   HB21    33     1.09395   109.35261    56.53366
   26    24 S   HC   HB22    34     1.09430   109.85348   175.48273
   27    22 S   N    _N3_    24     1.38301   114.01842    35.08149
   28    27 S   H    _HN3    25     1.01529   119.59076    -3.58321
   29    24 S   S    _SG2    35     1.82856   111.05967   -64.31570
   30    27 S   CT   _CA3    26     1.45274   123.29938   177.09276
   31    30 S   HC   HA31    27     1.09547   107.54688   -64.10757
   32    30 S   HC   HA32    28     1.09556   107.96438    52.35228
   33    29 S   CT   _C9_    36     1.85663   101.27185  -173.34265
   34    30 S   CO3  _C3_    29     1.52972   114.02992   174.33981
   35    34 S   O2Z  _O31    30     1.26386   116.07793     0.16313
   36    34 S   O2Z  _O32    31     1.26424   114.41866  -179.79064
   37    33 S   CMA  _C7_    37     1.54347   112.05979   -77.40229
   38    37 S   OM   _O9_    38     1.27105   111.54977    88.26784
   39    33 S   OH   _O33    50     1.43283   111.19666    50.13002
   40    39 S   HO   _H17    51     0.97163   106.25988    43.72915
   41    37 S   CMA  _C6_    39     1.37229   119.95088   -92.96140
   42    41 S   OM   _O8_    40     1.26688   128.93897  -178.96108
   43    41 S   CM   _C5_    41     1.48778   120.06450     0.02798
   44    43 S   CM   _C4_    42     1.34230   121.77241   -16.66325
   45    44 S   HC   _H13    43     1.08323   123.18984  -176.51985
   46    43 S   CT   _C10    46     1.51777   120.91332   164.45184
   47    46 S   HC   _H14    47     1.09589   110.77183   -56.04971
   48    46 S   HC   _H15    48     1.09637   111.97160  -174.93415
   49    46 S   HC   _H16    49     1.09559   111.22418    65.58282
   50    33 S   CO4  _C8_    44     1.53080   104.92638   161.50674
   51    50 S   O    _O10    45     1.23190   123.24851   -89.11577
  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   9   5   4   3
  11   2   1   1  10   5   5   1   9   3   8   7   3   4   2   1
   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    50    51    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    50    51    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    50    51    46    39    40  
   41    42    43    50    39  
   40    41    44    50    51  
   50  
   42    43    44    45    50    46    47    48    49  
   43    44    46  
   44    45    50    51    46    47    48    49  
   45    50    51    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51  
    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   0.432500   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  -0.226100   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   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   270.000  1.512
   33    50   317.000  1.522
   33    39   320.000  1.410
   37    38   745.000  1.250
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    43   465.000  1.376
   43    44   549.000  1.340
   43    46   317.000  1.510
   44    45   340.000  1.080
   44    50   320.000  1.462
   50    51   570.000  1.229
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    40   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    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    50    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    85.00000  112.85300
   33    37    41    65.00000  122.18000
   33    50    44    65.00000  118.62400
   33    50    51    80.00000  120.40000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    43    70.00000  117.34000
   41    37    38    65.00000  137.10300
   41    43    44    70.00000  117.34000
   41    43    46    70.00000  124.00000
   43    41    42    65.00000  137.10300
   43    44    45    35.00000  120.00000
   43    44    50    65.00000  118.96000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   44    50    51    80.00000  123.72100
   50    33    37    70.00000  109.06800
   50    44    45    40.00000  117.72500
   46    43    44    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    50    90.00000  109.61100
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.09700  1.0 1.0
   29    33    37    38   0.15600 -1.0 2.0
   29    33    37    38  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    50    44   0.65300  1.0 1.0
   29    33    50    44  -0.03850 -1.0 2.0
   29    33    50    44   0.33900  1.0 3.0
   29    33    50    51   0.30150 -1.0 2.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   37    33    50    44   0.65300  1.0 1.0
   37    33    50    44  -0.03850 -1.0 2.0
   37    33    50    44   0.33900  1.0 3.0
   37    33    50    51   0.30150 -1.0 2.0
   37    33    39    40  -0.07800  1.0 1.0
   37    33    39    40  -0.21500 -1.0 2.0
   37    33    39    40  -0.03150  1.0 3.0
   37    41   -43    44   7.00000 -1.0 2.0
   37    41    43    46   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    44    45   7.00000 -1.0 2.0
   41    43    44    50   7.00000 -1.0 2.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    46    48   0.00000  1.0 1.0
   41    43    46    49   0.00000  1.0 1.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    46   7.00000 -1.0 2.0
   43    44   -50    33  -0.33500  1.0 1.0
   43    44   -50    33   1.06600 -1.0 2.0
   43    44   -50    33  -0.14000  1.0 3.0
   43    44    50    51   1.00000 -1.0 2.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    49   0.00000  1.0 1.0
   45    44    50    33   0.04550  1.0 1.0
   45    44    50    33   0.83000 -1.0 2.0
   45    44    50    33  -0.04000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   50    33    37    38   0.09700  1.0 1.0
   50    33    37    38   0.15600 -1.0 2.0
   50    33    37    38  -0.50800  1.0 3.0
   50    33   -37    41  -0.51250  1.0 1.0
   50    33   -37    41  -0.88800 -1.0 2.0
   50    33   -37    41   0.08850  1.0 3.0
   50    33    39    40   0.91850  1.0 1.0
   50    33    39    40   0.57950  1.0 3.0
   46    43    44    45   7.00000 -1.0 2.0
   46    43    44    50   7.00000 -1.0 2.0
   39    33    37    38   0.09700  1.0 1.0
   39    33    37    38   0.15600 -1.0 2.0
   39    33    37    38  -0.50800  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    50    44   0.65300  1.0 1.0
   39    33    50    44  -0.03850 -1.0 2.0
   39    33    50    44   0.33900  1.0 3.0
   39    33    50    51   0.30150 -1.0 2.0
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    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   41    46    43    44   1.10000 -1.0 2.0
   50    45    44    43   1.10000 -1.0 2.0
   33    44    50    51  10.50000 -1.0 2.0
END
