* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     98    147     286
    1     0 S   NP   _N1_     1    30.43034    92.99658   -16.29897
    2     1 S   H    _HN1     2     1.03168   107.72931   -18.61228
    3     1 S   H    _H1_     3     1.03196   133.77850   116.89615
    4     1 S   H    _H2_     4     1.02705    31.41683    77.47375
    5     1 S   CT   _CA1     5     1.50059    83.94971  -129.94331
    6     5 S   HC   _HA1     6     1.09574   105.33537    42.47890
    7     5 S   CO3  _C1_     7     1.53685   112.60084   -77.90955
    8     7 S   O2Z  _O11     8     1.26334   115.22955   -49.43205
    9     7 S   O2Z  _O12     9     1.26285   114.86050   129.87075
   10     5 S   CT   _CB1    10     1.52842   107.00528   159.92527
   11    10 S   HC   HB11    11     1.09790   109.14745   -55.35745
   12    10 S   HC   HB12    12     1.09664   109.82406    60.54704
   13    10 S   CT   _CG1    13     1.53030   113.75203  -176.59400
   14    13 S   HC   HG11    14     1.09556   111.25222   -70.79251
   15    13 S   HC   HG12    15     1.09586   110.62162    48.96604
   16    13 S   C    _CD1    16     1.51562   109.99811   168.41078
   17    16 S   O    _OE1    17     1.22833   121.83714  -110.81566
   18    16 S   N    _N2_    18     1.38282   112.81340    67.68910
   19    18 S   H    _HN2    19     1.01587   119.06729     9.15184
   20    18 S   CT1  _CA2    20     1.45711   123.22157  -174.45143
   21    20 S   HC   _HA2    21     1.09714   109.03845    16.63521
   22    20 S   C    _C2_    22     1.52765   107.49338  -100.90119
   23    22 S   O    _O2_    23     1.22941   122.94291   -25.79559
   24    20 S   CT   _CB2    32     1.53341   111.58244   139.11769
   25    24 S   HC   HB21    33     1.09441   109.83522    60.15588
   26    24 S   HC   HB22    34     1.09538   110.33265   177.87569
   27    22 S   N    _N3_    24     1.38633   112.35914   157.27836
   28    27 S   H    _HN3    25     1.01487   119.74497     0.30774
   29    24 S   S    _SG2    35     1.83423   111.05964   -63.05219
   30    27 S   CT   _CA3    26     1.45429   122.68842   174.50410
   31    30 S   HC   HA31    27     1.09548   108.81525    33.02363
   32    30 S   HC   HA32    28     1.09476   107.16720   150.18557
   33    29 S   CT   _C8_    36     1.86224   101.75642   138.33947
   34    33 S   Cl   Cl1_    37     1.79064   108.48611   -63.38037
   35    30 S   CO3  _C3_    29     1.53122   113.89240   -89.70225
   36    35 S   O2Z  _O31    30     1.26358   116.04922   -23.72812
   37    35 S   O2Z  _O32    31     1.26451   114.50462   157.06109
   38    33 S   CT   _C5_    38     1.54096   110.42493    61.20181
   39    38 S   HC   _H3_    39     1.09431   112.58568   -29.68429
   40    38 S   CO4  _C6_    40     1.50658   101.57151    86.25181
   41    40 S   O    _O33    41     1.22141   125.54554  -161.18714
   42    38 S   CT   _C4_    51     1.52820   116.83682  -156.54972
   43    42 S   HC   _H6_    52     1.09517   112.13579   -51.16315
   44    42 S   HC   _H7_    53     1.09613   110.51683  -170.42498
   45    42 S   HC   _H8_    54     1.09436   111.20397    70.57206
   46    40 S   OS   _O34    42     1.36351   110.04446    20.56700
   47    33 S   CT   _C7_    43     1.54509   112.04303   173.65671
   48    47 S   HC   _H4_    44     1.09929   109.91107   163.97092
   49    47 S   CT   _C9_    45     1.53445   119.65674    36.87232
   50    49 S   Cl   Cl2_    46     1.81272   109.05231  -179.16397
   51    49 S   HC   _H5_    47     1.09445   110.78115   -65.60674
   52    49 S   CO3  _C10    48     1.53134   117.26648    62.50267
   53    52 S   O2Z  _O36    49     1.26270   116.41944    38.52750
   54    52 S   O2Z  _O35    50     1.26535   114.98947  -142.26433
  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   8   2   1   1  11   8   9   3   5   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    47    48    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    49    50    51    52    42    43    44    45  
   38    39    40    46    47    48    49    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    49    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    50    51    52  
   48    49    50    51    52    53    54  
   49    50    51    52  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.080000   2.1950   1.9500   0.001000000   0.320982824
   51   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.586000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   214.000  1.327
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   245.000  1.781
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   38    33    34    69.00000  109.80000
   38    40    41    80.00000  120.40000
   38    40    46    81.00000  111.40000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    83.00000  116.90000
   46    40    41    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   47    33    34    69.00000  109.80000
   47    33    38    58.35000  112.70000
   47    49    50    69.00000  109.80000
   47    49    51    37.50000  110.70000
   47    49    52    70.00000  109.69300
   49    47    48    37.50000  110.70000
   49    52    53    70.00000  117.00000
   49    52    54    70.00000  117.00000
   51    49    50    51.00000  107.60000
   52    49    50    69.00000  109.80000
   52    49    51    35.00000  109.50000
   54    52    53    80.00000  126.00000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.36750  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    47    49    50   0.35600  1.0 1.0
   33    47    49    50  -0.14650 -1.0 2.0
   33    47    49    50   0.33350  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52  -1.63150  1.0 1.0
   33    47    49    52  -0.43550 -1.0 2.0
   33    47    49    52   0.24500  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.56750  1.0 1.0
   34    33    38    40  -0.07550 -1.0 2.0
   34    33    38    40   0.20000  1.0 3.0
   34    33    38    42   0.35600  1.0 1.0
   34    33    38    42  -0.14650 -1.0 2.0
   34    33    38    42   0.33350  1.0 3.0
   34    33    47    46   0.56750  1.0 1.0
   34    33    47    46  -0.07550 -1.0 2.0
   34    33    47    46   0.20000  1.0 3.0
   34    33    47    48   0.27000  1.0 3.0
   34    33    47    49   0.35600  1.0 1.0
   34    33    47    49  -0.14650 -1.0 2.0
   34    33    47    49   0.33350  1.0 3.0
   38    33   -47    46   0.62750  1.0 1.0
   38    33   -47    46  -0.30950 -1.0 2.0
   38    33   -47    46   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    40   -46    47   1.63150  1.0 1.0
   38    40   -46    47   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33  -0.25900  1.0 1.0
   40    46   -47    33  -0.47000 -1.0 2.0
   40    46   -47    33   0.11750  1.0 3.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.25900  1.0 1.0
   40    46    47    49  -0.47000 -1.0 2.0
   40    46    47    49   0.11750  1.0 3.0
   41    40    46    47   3.00000 -1.0 2.0
   46    47    49    50   0.56750  1.0 1.0
   46    47    49    50  -0.07550 -1.0 2.0
   46    47    49    50   0.20000  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    52  -3.35100  1.0 1.0
   46    47    49    52  -0.37050 -1.0 2.0
   46    47    49    52   0.22400  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40  -0.95700  1.0 1.0
   47    33   -38    40  -0.18200 -1.0 2.0
   47    33   -38    40   0.29450  1.0 3.0
   47    33    38    42   0.56750  1.0 1.0
   47    33    38    42  -0.07550 -1.0 2.0
   47    33    38    42   0.20000  1.0 3.0
   47    49    52    53   0.41150 -1.0 2.0
   47    49    52    54   0.41150 -1.0 2.0
   48    47    49    50   0.27000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52  -0.11250  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.36750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
END
