REMARK  Name = BDB008610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.407  -1.529  -0.155  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.334  -0.813   0.318  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.286  -1.083   1.684  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.275  -0.488   2.475  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1        0.365   0.374   1.826  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.419   0.642   0.446  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        1.146  -0.706   3.957  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        3.383  -1.966   1.912  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        3.825  -2.574   3.191  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        1.423   0.038  -0.325  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.053  -2.239   0.787  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.634   1.578  -0.152  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -0.281   2.198  -1.511  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -1.996   0.988  -0.169  0.00  0.00    -0.290 N 
ATOM     15  C   LIG    1       -3.062   1.851   0.124  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1       -2.891   3.075   0.177  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -4.471   1.238   0.345  0.00  0.00    +0.155 C 
ATOM     18  N   LIG    1       -5.467   2.325   0.559  0.00  0.00    -0.303 NA
ATOM     19  H   LIG    1       -5.380   3.024  -0.178  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -6.822   1.768   0.630  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -6.902   0.460   1.457  0.00  0.00    +0.096 C 
ATOM     22  N   LIG    1       -5.747   0.289   2.360  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1       -5.696   1.157   2.902  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.502   0.257   1.549  0.00  0.00    +0.109 C 
ENDBRANCH  15  17
BRANCH  14  25
ATOM     25  C   LIG    1       -2.144  -0.432  -0.405  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -3.004  -0.975  -1.522  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -1.523  -1.149  -1.580  0.00  0.00    +0.024 C 
ENDBRANCH  14  25
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1        3.878  -1.596  -1.526  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.802  -0.438  -1.874  0.00  0.00    +0.051 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.332  -0.568  -3.294  0.00  0.00    +0.161 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.698   0.515  -4.882  0.00  0.00    +0.193 C 
ATOM     32  O   LIG    1        6.134   0.576  -3.578  0.00  0.00    -0.383 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8