* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     94    142     276
    1     0 S   NP   _N1_     1    28.77097    95.55536   -23.48700
    2     1 S   H    _HN1     2     1.02949    77.31276    12.73713
    3     1 S   H    _H1_     3     1.02828    32.80196   167.54780
    4     1 S   H    _H2_     4     1.02786   105.33830   -93.10842
    5     1 S   CT   _CA1     5     1.50103   135.92995   119.08190
    6     5 S   HC   _HA1     6     1.09572   105.20624    84.93561
    7     5 S   CO3  _C1_     7     1.53795   112.47169   -35.32426
    8     7 S   O2Z  _O11     8     1.26371   115.01016   -42.56067
    9     7 S   O2Z  _O12     9     1.26241   114.95227   136.61613
   10     5 S   CT   _CB1    10     1.53083   107.42612  -157.06418
   11    10 S   HC   HB11    11     1.09831   109.40007   -49.69607
   12    10 S   HC   HB12    12     1.09813   110.43748    66.92337
   13    10 S   CT   _CG1    13     1.52980   112.58502  -170.67334
   14    13 S   HC   HG11    14     1.09584   110.61693   -65.12358
   15    13 S   HC   HG12    15     1.09669   109.79892    54.10179
   16    13 S   C    _CD1    16     1.51792   112.26639   174.57722
   17    16 S   O    _OE1    17     1.22723   123.30347     6.01702
   18    16 S   N    _N2_    18     1.38643   111.62971  -174.04912
   19    18 S   H    _HN2    19     1.01573   118.93324     2.03481
   20    18 S   CT1  _CA2    20     1.46234   123.45970   178.03278
   21    20 S   HC   _HA2    21     1.09735   109.37958     3.67887
   22    20 S   C    _C2_    22     1.53572   108.57617  -111.84082
   23    22 S   O    _O2_    23     1.23058   122.31343  -147.52274
   24    20 S   CT   _CB2    32     1.53420   111.50512   125.69483
   25    24 S   HC   HB21    33     1.09546   109.64920    55.99247
   26    24 S   HC   HB22    34     1.09375   109.96883   174.87466
   27    22 S   N    _N3_    24     1.38344   113.71994    39.89933
   28    27 S   H    _HN3    25     1.01578   119.60511    -3.15424
   29    24 S   S    _SG2    35     1.82953   111.22721   -64.61127
   30    27 S   CT   _CA3    26     1.45290   123.20856   177.18659
   31    30 S   HC   HA31    27     1.09548   107.50025   -64.88021
   32    30 S   HC   HA32    28     1.09557   107.99525    51.55890
   33    29 S   CT   _C6_    36     1.86557   100.95759  -178.99051
   34    30 S   CO3  _C3_    29     1.52961   114.08577   173.57227
   35    34 S   O2Z  _O31    30     1.26375   116.07503    -0.46730
   36    34 S   O2Z  _O32    31     1.26429   114.41011   179.59218
   37    33 S   CT   _C7_    37     1.56346   108.68298    78.96818
   38    37 S   OM   _O36    38     1.31474   113.31527    93.88020
   39    37 S   HC   _H4_    39     1.09961   108.94030   -42.61245
   40    33 S   CT   _C5_    45     1.57125   107.75872  -152.08370
   41    40 S   HC   _H3_    46     1.09704   110.33321   -58.10247
   42    37 S   CO4  _C8_    40     1.49558    98.26723  -148.75767
   43    42 S   O    _O33    41     1.21635   129.82124  -159.40837
   44    40 S   CT   _C4_    47     1.53886   114.20533    64.85130
   45    44 S   HC   _H5_    48     1.09240   112.37130   -54.66097
   46    44 S   HC   _H6_    49     1.09485   111.30196    68.10583
   47    40 S   OH   _O37    52     1.43788   110.60610  -174.47355
   48    47 S   HO   _H7_    53     0.97159   108.24869   -74.09331
   49    42 S   CO4  _C9_    42     1.49851   109.48996    25.31891
   50    49 S   O    _O34    43     1.21090   125.11462   167.47202
   51    44 S   OH   _O38    50     1.42656   109.08731  -173.54269
   52    51 S   HO   _H8_    51     0.97234   107.03100   179.49294
   53    33 S   OS   _O35    44     1.45383   110.75012   -35.86264
  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  11   5   4   3
  16   2   1   1  11   6   5  11   7   4   3   7   4   3   3   1
   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    49    53    40    41    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    49    50    53    40    41    44    45    46    51    47    48  
   35    36  
   36  
    0  
   38    39    42    43    49    50    53    40    41    44    47  
   39    42    43    49    53    40  
   42    43    49    53    40  
   41    44    45    46    51    52    47    48    42    49    53  
   44    45    46    51    47    48    53  
   43    49    50    53  
   49    50    53  
   45    46    51    52    47    48    53  
   46    51    52    47  
   51    52    47  
   48    51    53  
    0  
   50    53  
   53  
   52  
    0  
    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  -0.316400   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   0.398900   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    53   320.000  1.410
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    49   250.000  1.523
   49    50   570.000  1.229
   49    53   214.000  1.327
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   320.000  1.410
   51    52   553.000  0.945
   47    48   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  111.63000
   29    33    53    85.00000  114.68000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    53    49    83.00000  116.90000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    47    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    49    65.00000  115.45000
   39    37    38    45.00000  125.66300
   42    37    38    90.00000  108.74100
   42    37    39    35.00000  109.50000
   42    49    50    80.00000  119.30300
   42    49    53    90.00000  109.31000
   49    42    43    80.00000  119.30300
   53    33    37    50.00000  109.50000
   53    49    50    83.00000  123.40000
   40    33    37    58.35000  112.70000
   40    33    53    50.00000  109.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    50.00000  109.50000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    51    52    55.00000  108.50000
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   0.57400  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.56750  1.0 1.0
   29    33    37    38  -0.07550 -1.0 2.0
   29    33    37    38   0.20000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    53    49   0.14700  1.0 1.0
   29    33    53    49  -1.16150 -1.0 2.0
   29    33    53    49   0.48700  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37   -42    49   0.65300  1.0 1.0
   33    37   -42    49  -0.03850 -1.0 2.0
   33    37   -42    49   0.33900  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    51   0.86500  1.0 1.0
   33    40    44    51  -0.17500 -1.0 2.0
   33    40    44    51   0.20800  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   37    33   -53    49  -0.25900  1.0 1.0
   37    33   -53    49  -0.47000 -1.0 2.0
   37    33   -53    49   0.11750  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    33    40    47   0.86500  1.0 1.0
   37    33    40    47  -0.17500 -1.0 2.0
   37    33    40    47   0.20800  1.0 3.0
   37    42    49    50   0.49600 -1.0 2.0
   37    42   -49    53   0.43900  1.0 1.0
   37    42   -49    53  -0.18150 -1.0 2.0
   37    42   -49    53  -0.03650  1.0 3.0
   38    37    42    43   0.30150 -1.0 2.0
   38    37    42    49   0.65300  1.0 1.0
   38    37    42    49  -0.03850 -1.0 2.0
   38    37    42    49   0.33900  1.0 3.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    49   0.00000  1.0 1.0
   42    49   -53    33   2.00000 -1.0 2.0
   43    42    49    50   0.06100 -1.0 2.0
   43    42    49    53   0.03000  1.0 1.0
   43    42    49    53   0.58800 -1.0 2.0
   43    42    49    53   0.15550  1.0 3.0
   50    49    53    33   3.00000 -1.0 2.0
   53    33    37    38   1.11900  1.0 1.0
   53    33    37    38  -1.16350 -1.0 2.0
   53    33    37    38  -0.34150  1.0 3.0
   53    33    37    39   0.23400  1.0 3.0
   53    33   -37    42  -0.09450  1.0 1.0
   53    33   -37    42  -1.12950 -1.0 2.0
   53    33   -37    42   0.54000  1.0 3.0
   53    33    40    41   0.23400  1.0 3.0
   53    33    40    44   0.62750  1.0 1.0
   53    33    40    44  -0.30950 -1.0 2.0
   53    33    40    44   0.27300  1.0 3.0
   53    33    40    47   3.69350  1.0 1.0
   53    33    40    47  -1.82950 -1.0 2.0
   40    33    37    38   0.62750  1.0 1.0
   40    33    37    38  -0.30950 -1.0 2.0
   40    33    37    38   0.27300  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    53    49  -0.25900  1.0 1.0
   40    33    53    49  -0.47000 -1.0 2.0
   40    33    53    49   0.11750  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.23400  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   46    44    51    52   0.19450  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    51   3.75450  1.0 1.0
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
   37    49    42    43  10.50000 -1.0 2.0
   42    53    49    50  10.50000 -1.0 2.0
END
