* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    167    249     483
    1     0 S   NP   _N1_     1    28.58799    95.46562   -22.02495
    2     1 S   H    _HN1     2     1.02953    78.68041    37.83493
    3     1 S   H    _H1_     3     1.02832    36.36790   178.75951
    4     1 S   H    _H2_     4     1.02779    96.44492   -69.65869
    5     1 S   CT   _CA1     5     1.50120   143.93116   147.02851
    6     5 S   HC   _HA1     6     1.09574   105.20405    78.69492
    7     5 S   CO3  _C1_     7     1.53785   112.42171   -41.50996
    8     7 S   O2Z  _O11     8     1.26367   114.99697   -42.91387
    9     7 S   O2Z  _O12     9     1.26238   114.94292   136.20674
   10     5 S   CT   _CB1    10     1.53089   107.42613  -163.35763
   11    10 S   HC   HB11    11     1.09834   109.35011   -50.17491
   12    10 S   HC   HB12    12     1.09815   110.43990    66.40282
   13    10 S   CT   _CG1    13     1.53011   112.64019  -171.20762
   14    13 S   HC   HG11    14     1.09585   110.56966   -65.34945
   15    13 S   HC   HG12    15     1.09665   109.85435    53.89420
   16    13 S   C    _CD1    16     1.51793   112.24457   174.29587
   17    16 S   O    _OE1    17     1.22689   123.21855     4.53082
   18    16 S   N    _N2_    18     1.38523   111.72525  -175.59620
   19    18 S   H    _HN2    19     1.01600   118.89401    -0.05595
   20    18 S   CT1  _CA2    20     1.46188   123.49798   177.93967
   21    20 S   HC   _HA2    21     1.09561   109.01957   -12.21309
   22    20 S   C    _C2_    22     1.53152   107.47644  -126.59554
   23    22 S   O    _O2_    23     1.22927   122.87522  -138.04134
   24    20 S   CT   _CB2    32     1.53222   111.54560   110.26156
   25    24 S   HC   HB21    33     1.09604   110.15441    47.48732
   26    24 S   HC   HB22    34     1.09519   111.77547   166.16836
   27    22 S   N    _N3_    24     1.38494   112.73765    49.09071
   28    27 S   H    _HN3    25     1.01660   119.48472    -4.08548
   29    24 S   S    _SG2    35     1.82920   112.10876   -72.27397
   30    27 S   CT   _CA3    26     1.45239   123.18202   176.09580
   31    30 S   HC   HA31    27     1.09555   107.78074   -57.17186
   32    30 S   HC   HA32    28     1.09548   107.68985    59.25785
   33    29 S   CT   _C23    36     1.83138    99.13237   -81.98277
   34    33 S   HC   _H3_    37     1.09542   107.65171   -77.38067
   35    33 S   HC   _H4_    38     1.08874   106.75081    38.47065
   36    30 S   CO3  _C3_    29     1.52939   114.04882  -178.90675
   37    36 S   O2Z  _O31    30     1.26377   116.04092     1.01162
   38    36 S   O2Z  _O32    31     1.26421   114.42536  -178.97512
   39    33 S   CT   _C14    39     1.53651   112.72916   159.76352
   40    39 S   HC   _H36    40     1.09644   111.28706   -51.85574
   41    39 S   CO4  _C8_    41     1.50504   109.22673    69.44196
   42    41 S   O    _O22    42     1.22107   126.11080   -81.45879
   43    41 S   OS   _O24    43     1.36038   109.83594    95.82692
   44    43 S   CT   _C16    44     1.43879   110.97661    13.13814
   45    44 S   HC   _H38    45     1.09750   107.18150  -109.59602
   46    44 S   CT   _C13    46     1.53992   106.69941   134.22018
   47    46 S   HC   _H35    47     1.09774   108.34312    59.42371
   48    39 S   CT   _C15    60     1.55424   116.06659  -176.86188
   49    48 S   HC   _H37    61     1.09818   105.83451   156.28151
   50    46 S   CM   _C7_    48     1.49464   118.13854   -63.67093
   51    50 S   CM   _C5_    49     1.33192   109.38135  -120.08054
   52    51 S   HC   _H30    50     1.08103   125.05115  -178.11301
   53    50 S   CT   _C20    86     1.48482   124.02179    63.67494
   54    53 S   HC   _H43    87     1.09290   110.93403   -72.94419
   55    53 S   HC   _H44    88     1.09523   111.38140   167.35789
   56    53 S   HC   _H45    89     1.09436   110.51297    47.82502
   57    51 S   CO   _C18    51     1.49321   110.55255     1.96841
   58    57 S   CM   _C4_    52     1.51104   109.35340   115.61685
   59    58 S   HC   _H29    53     1.09159   112.65739    63.92930
   60    46 S   OS   _O25    77     1.43668   109.65067   175.84848
   61    57 S   OS   _O27    78     1.43308   106.68146  -125.14743
   62    58 S   CM   _C6_    54     1.34777   130.48017  -114.83897
   63    61 S   CT   _C24    79     1.42657   114.26513   165.59418
   64    63 S   HC   _H54    80     1.09496   109.97615   -63.12370
   65    63 S   HC   _H55    81     1.09476   110.54523    57.54349
   66    62 S   CT   _C12    55     1.51373   125.73515    -3.77118
   67    66 S   HC   _H33    56     1.09917   106.72186  -143.02879
   68    66 S   HC   _H34    57     1.09276   111.44960   -31.47010
   69    62 S   CT   _C19    73     1.50956   118.96621   179.92087
   70    69 S   HC   _H40    74     1.09494   110.50645   123.95157
   71    69 S   HC   _H41    75     1.09540   112.46500     4.29067
   72    69 S   HC   _H42    76     1.09184   110.62277  -115.59952
   73    63 S   CT   _C22    82     1.51642   108.12261   177.43860
   74    73 S   HC   _H49    83     1.09504   110.59790   -59.38279
   75    73 S   HC   _H50    84     1.09504   110.62409    58.89931
   76    73 S   HC   _H51    85     1.09358   110.90407   179.76761
   77    66 S   CT   _C17    58     1.54151   116.95179    95.93454
   78    77 S   HC   _H39    59     1.09787   105.98462   178.81915
   79    77 S   OS   _O26    62     1.45333   108.90988    61.89391
   80    79 S   CO4  _C11    63     1.36113   118.09936    83.59238
   81    80 S   O    _O23    64     1.22250   125.84911    -2.23940
   82    80 S   CM   _C10    65     1.48919   109.70135   176.56037
   83    82 S   CM   _C9_    66     1.34167   117.27349  -171.21170
   84    83 S   HC   _H31    67     1.08577   121.03663   179.27719
   85    83 S   HC   _H32    68     1.08545   122.56581    -0.16786
   86    82 S   CT   _C21    69     1.49753   120.33622     7.94480
   87    86 S   HC   _H46    70     1.09463   110.99895   -55.78615
   88    86 S   HC   _H47    71     1.09393   110.51611    64.74724
   89    86 S   HC   _H48    72     1.09546   111.82733  -175.57185
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6  11
   4  10  12   5   5   2   1   1  11  13   5   3   8  10   6   5
   4  10   5   4   4   2   1   1   3   2   1   1   5   2   5   9
   3   7   6   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    77    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    77    78    48    49    79  
   41    42    43    44    77    48    49  
   42    43    44    45    46    77    48    49  
   43    44    48  
   44    45    46    47    50    77    48    49    60  
   45    46    47    50    51    57    66    77    78    48    49    79    60    53  
   46    47    50    77    48    49    60  
   47    50    51    52    57    58    77    48    49    60    61    53    54    55    56  
   50    51    57    48    60    53  
   49    79    80    60    50    62    66    67    68    77    78  
   79    66    77    78  
   51    52    57    58    60    61    53    54    55    56  
   52    57    58    59    62    60    61    63    53    54    55    56  
   57    58    60    61    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    66    69    60    61    63    64    65    73  
   59    62    66    67    68    77    69    70    71    72    60    61    63  
   62    66    69    60    61  
   61    63    62  
   63    64    65    73    74    75    76    62  
   66    67    68    77    78    79    69    70    71    72  
   64    65    73    74    75    76  
   65    73    74    75    76  
   73    74    75    76  
   67    68    77    78    79    80    69    70    71    72  
   68    77    78    79    69  
   77    78    79    69  
   70    71    72    77  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82  
   79    80  
   80    81    82    83    86  
   81    82    83    84    85    86    87    88    89  
   82    83    86  
   83    84    85    86    87    88    89  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.239000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   320.000  1.410
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   317.000  1.510
   57    60   320.000  1.380
   57    61   320.000  1.380
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    66   317.000  1.510
   62    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    77   268.000  1.529
   77    78   340.000  1.090
   77    48   268.000  1.529
   77    79   320.000  1.410
   48    49   340.000  1.090
   79    80   214.000  1.327
   80    81   570.000  1.229
   80    82   320.000  1.462
   82    83   549.000  1.340
   82    86   317.000  1.510
   83    84   340.000  1.080
   83    85   340.000  1.080
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    77    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    50.00000  109.50000
   44    48    77    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    53    65.00000  117.92700
   46    60    57    60.00000  109.50000
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    70.00000  110.12100
   51    57    60    85.00000  110.90400
   51    57    61    85.00000  110.90400
   57    51    52    35.00000  117.00000
   57    58    59    35.00000  117.00000
   57    58    62    70.00000  124.00000
   57    61    63    60.00000  109.50000
   58    62    66    70.00000  124.00000
   58    62    69    70.00000  124.00000
   62    58    59    35.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    77    70.00000  112.02700
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   66    77    78    37.50000  110.70000
   66    77    48    58.35000  112.70000
   66    77    79    50.00000  109.50000
   68    66    67    33.00000  107.80000
   77    66    67    37.50000  110.70000
   77    66    68    37.50000  110.70000
   77    48    49    37.50000  110.70000
   77    79    80    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    77    78    37.50000  110.70000
   79    77    78    35.00000  109.50000
   79    77    48    50.00000  109.50000
   79    80    81    83.00000  123.40000
   79    80    82    90.00000  111.29400
   80    82    83    65.00000  118.96000
   80    82    86    65.00000  116.34900
   82    80    81    80.00000  123.72100
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   85    83    84    35.00000  117.00000
   86    82    83    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   69    62    66    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    46    47    35.00000  109.50000
   60    46    50    85.00000  110.90400
   60    57    58    85.00000  110.90400
   61    57    58    85.00000  110.90400
   61    57    60    92.60000  111.55000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    73    50.00000  109.50000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    37.50000  110.70000
   65    63    64    33.00000  107.80000
   73    63    64    37.50000  110.70000
   73    63    65    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    77   0.56750  1.0 1.0
   33    39    48    77  -0.07550 -1.0 2.0
   33    39    48    77   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    77   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    77  -0.95700  1.0 1.0
   41    39    48    77  -0.18200 -1.0 2.0
   41    39    48    77   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   1.11900  1.0 1.0
   43    44    46    60  -1.16350 -1.0 2.0
   43    44    46    60  -0.34150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    77   0.62750  1.0 1.0
   43    44    48    77  -0.30950 -1.0 2.0
   43    44    48    77   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    53   0.46850  1.0 1.0
   44    46    50    53   0.08550 -1.0 2.0
   44    46    50    53   0.09800  1.0 3.0
   44    46    60    57   0.06250  1.0 1.0
   44    46    60    57  -0.01100 -1.0 2.0
   44    46    60    57   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.23400  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    77   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    77   0.56750  1.0 1.0
   46    44    48    77  -0.07550 -1.0 2.0
   46    44    48    77   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   7.00000 -1.0 2.0
   46    50   -51    57   7.00000 -1.0 2.0
   46    50    53    54   0.34800  1.0 3.0
   46    50    53    55   0.34800  1.0 3.0
   46    50    53    56   0.34800  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    53   0.34800  1.0 3.0
   47    46    60    57   0.37050  1.0 3.0
   50    46   -60    57  -0.77900  1.0 1.0
   50    46   -60    57  -0.36900 -1.0 2.0
   50    46   -60    57   0.40400  1.0 3.0
   50    51    57    58  -0.28300  1.0 1.0
   50    51    57    58   0.26700 -1.0 2.0
   50    51    57    58  -0.63300  1.0 3.0
   50    51   -57    60   0.39000  1.0 1.0
   50    51   -57    60  -0.05800 -1.0 2.0
   50    51   -57    60  -0.55150  1.0 3.0
   50    51    57    61   0.39000  1.0 1.0
   50    51    57    61  -0.05800 -1.0 2.0
   50    51    57    61  -0.55150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    62  -0.28300  1.0 1.0
   51    57    58    62   0.26700 -1.0 2.0
   51    57    58    62  -0.63300  1.0 3.0
   51    57   -60    46  -0.77900  1.0 1.0
   51    57   -60    46  -0.36900 -1.0 2.0
   51    57   -60    46   0.40400  1.0 3.0
   51    57    61    63  -0.77900  1.0 1.0
   51    57    61    63  -0.36900 -1.0 2.0
   51    57    61    63   0.40400  1.0 3.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    60   0.00000  1.0 1.0
   52    51    57    61   0.00000  1.0 1.0
   57    58    62    66   7.00000 -1.0 2.0
   57    58    62    69   7.00000 -1.0 2.0
   57    61    63    64   0.37050  1.0 3.0
   57    61    63    65   0.37050  1.0 3.0
   57    61    63    73   0.06250  1.0 1.0
   57    61    63    73  -0.01100 -1.0 2.0
   57    61    63    73   0.28050  1.0 3.0
   58    57    60    46  -0.77900  1.0 1.0
   58    57    60    46  -0.36900 -1.0 2.0
   58    57    60    46   0.40400  1.0 3.0
   58    57    61    63  -0.77900  1.0 1.0
   58    57    61    63  -0.36900 -1.0 2.0
   58    57    61    63   0.40400  1.0 3.0
   58    62    66    67   0.00000  1.0 1.0
   58    62    66    68   0.00000  1.0 1.0
   58    62    66    77   0.09850  1.0 1.0
   58    62    66    77   0.15250 -1.0 2.0
   58    62    66    77  -0.50650  1.0 3.0
   58    62    69    70   0.00000  1.0 1.0
   58    62    69    71   0.00000  1.0 1.0
   58    62    69    72   0.00000  1.0 1.0
   59    58    62    66   7.00000 -1.0 2.0
   59    58    62    69   7.00000 -1.0 2.0
   62    66    77    78   0.15000  1.0 3.0
   62    66    77    48   0.34400  1.0 1.0
   62    66    77    48   0.09450 -1.0 2.0
   62    66    77    48   0.11100  1.0 3.0
   62    66    77    79   0.61850  1.0 1.0
   62    66    77    79  -0.22750 -1.0 2.0
   62    66    77    79   0.15300  1.0 3.0
   66    62    69    70   0.34800  1.0 3.0
   66    62    69    71   0.34800  1.0 3.0
   66    62    69    72   0.34800  1.0 3.0
   66    77    48    39   0.56750  1.0 1.0
   66    77    48    39  -0.07550 -1.0 2.0
   66    77    48    39   0.20000  1.0 3.0
   66    77    48    44   0.56750  1.0 1.0
   66    77    48    44  -0.07550 -1.0 2.0
   66    77    48    44   0.20000  1.0 3.0
   66    77    48    49   0.15000  1.0 3.0
   66    77    79    80  -0.25900  1.0 1.0
   66    77    79    80  -0.47000 -1.0 2.0
   66    77    79    80   0.11750  1.0 3.0
   67    66    77    78   0.15000  1.0 3.0
   67    66    77    48   0.15000  1.0 3.0
   67    66    77    79   0.23400  1.0 3.0
   68    66    77    78   0.15000  1.0 3.0
   68    66    77    48   0.15000  1.0 3.0
   68    66    77    79   0.23400  1.0 3.0
   77    79    80    81   3.00000 -1.0 2.0
   77    79    80    82   2.00000 -1.0 2.0
   78    77    48    39   0.15000  1.0 3.0
   78    77    48    44   0.15000  1.0 3.0
   78    77    48    49   0.15000  1.0 3.0
   78    77    79    80   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    60   0.62750  1.0 1.0
   48    44    46    60  -0.30950 -1.0 2.0
   48    44    46    60   0.27300  1.0 3.0
   48    77    79    80  -0.25900  1.0 1.0
   48    77    79    80  -0.47000 -1.0 2.0
   48    77    79    80   0.11750  1.0 3.0
   79    77    48    39   0.62750  1.0 1.0
   79    77    48    39  -0.30950 -1.0 2.0
   79    77    48    39   0.27300  1.0 3.0
   79    77    48    44   0.62750  1.0 1.0
   79    77    48    44  -0.30950 -1.0 2.0
   79    77    48    44   0.27300  1.0 3.0
   79    77    48    49   0.23400  1.0 3.0
   79    80    82    83  -0.56150  1.0 1.0
   79    80    82    83   2.19150 -1.0 2.0
   79    80    82    86  -0.15000  1.0 1.0
   79    80    82    86   0.89550 -1.0 2.0
   79    80    82    86  -0.06900  1.0 3.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    85   7.00000 -1.0 2.0
   80    82    86    87   0.15000  1.0 3.0
   80    82    86    88   0.15000  1.0 3.0
   80    82    86    89   0.15000  1.0 3.0
   81    80    82    83   1.00000 -1.0 2.0
   81    80    82    86  -0.64400  1.0 1.0
   81    80    82    86   0.26850 -1.0 2.0
   83    82    86    87   0.00000  1.0 1.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86    89   0.00000  1.0 1.0
   86    82    83    84   7.00000 -1.0 2.0
   86    82    83    85   7.00000 -1.0 2.0
   69    62    66    67   0.34800  1.0 3.0
   69    62    66    68   0.34800  1.0 3.0
   69    62    66    77   0.46850  1.0 1.0
   69    62    66    77   0.08550 -1.0 2.0
   69    62    66    77   0.09800  1.0 3.0
   60    46   -50    51   0.39000  1.0 1.0
   60    46   -50    51  -0.05800 -1.0 2.0
   60    46   -50    51  -0.55150  1.0 3.0
   60    46    50    53   0.09700  1.0 1.0
   60    46    50    53   0.15600 -1.0 2.0
   60    46    50    53  -0.50800  1.0 3.0
   60    57    58    59   0.00000  1.0 1.0
   60    57    58    62   0.39000  1.0 1.0
   60    57    58    62  -0.05800 -1.0 2.0
   60    57    58    62  -0.55150  1.0 3.0
   60    57    61    63  -0.53350  1.0 1.0
   60    57    61    63  -0.78350 -1.0 2.0
   60    57    61    63   0.33750  1.0 3.0
   61    57    58    59   0.00000  1.0 1.0
   61    57    58    62   0.39000  1.0 1.0
   61    57    58    62  -0.05800 -1.0 2.0
   61    57    58    62  -0.55150  1.0 3.0
   61    57    60    46  -0.53350  1.0 1.0
   61    57    60    46  -0.78350 -1.0 2.0
   61    57    60    46   0.33750  1.0 3.0
   61    63    73    74   0.23400  1.0 3.0
   61    63    73    75   0.23400  1.0 3.0
   61    63    73    76   0.23400  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   65    63    73    74   0.15000  1.0 3.0
   65    63    73    75   0.15000  1.0 3.0
   65    63    73    76   0.15000  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   57    59    58    62   1.10000 -1.0 2.0
   66    69    62    58   1.10000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   80    86    82    83  15.00000 -1.0 2.0
   84    85    83    82  15.00000 -1.0 2.0
END
