REMARK  Name = BDB032242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.083  -0.306   0.290  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.375  -0.313  -0.905  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        0.939  -0.009  -1.016  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        1.597   0.331   0.107  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1        0.968   0.389   1.345  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.385   0.066   1.438  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.945   0.656  -0.061  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1        3.078   0.546  -1.066  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.858  -0.199   0.696  0.00  0.00    +0.106 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.319   0.181   0.403  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        6.262  -0.511   1.411  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        7.652  -0.821   0.841  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1        8.060   0.226  -0.089  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1        9.470   0.115  -0.451  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1        7.208   0.257  -1.287  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        5.754  -0.165  -1.026  0.00  0.00    +0.020 C 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -2.546  -0.649   0.323  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.315   0.459  -0.226  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.936   1.365   0.042  0.00  0.00    +0.146 HD
BRANCH  18  27
ATOM     20  C   LIG    1       -6.871  -0.708  -0.079  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1       -7.548   0.523  -0.241  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -6.803   1.706  -0.400  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -7.476   2.923  -0.579  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -8.861   2.928  -0.588  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -9.614   1.823  -0.434  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -5.400   1.643  -0.378  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -4.713   0.439  -0.173  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -8.944   0.656  -0.268  0.00  0.00    +0.122 A 
ATOM     29  C   LIG    1       -5.468  -0.736  -0.061  0.00  0.00    +0.069 A 
BRANCH  20  31
ATOM     30  C   LIG    1       -7.035  -3.086   0.147  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -7.671  -1.819   0.048  0.00  0.00    -0.494 OA
ENDBRANCH  20  31
ENDBRANCH  18  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7