REMARK  Name = BDB031050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.732   1.417   1.173  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.568   1.050   1.141  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.150   0.655   2.289  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.442   0.622   3.489  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.892   1.020   3.513  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.494   1.431   2.332  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.293  -0.040  -1.141  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -3.244   0.292  -0.361  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -2.379   1.321  -0.742  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.530   2.033  -1.930  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.564   2.909  -2.103  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -0.761   2.770  -1.002  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -3.648   1.711  -2.746  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.258   1.835  -0.113  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.491   0.731  -2.372  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -6.518  -0.657  -0.096  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -5.281  -1.105  -0.834  0.00  0.00    -0.006 C 
ATOM     18  C   LIG    1       -4.739  -2.489  -0.518  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -5.422  -2.243  -1.829  0.00  0.00    +0.012 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        2.490   0.227   2.306  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        2.977   0.752   3.027  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.185   0.291   1.024  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1        4.692   0.087   1.234  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        5.191  -0.445  -0.112  0.00  0.00    -0.003 C 
ATOM     25  C   LIG    1        6.216   0.430  -0.881  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1        6.970  -0.798  -1.212  0.00  0.00    -0.315 NA
ATOM     27  H   LIG    1        6.683  -1.215  -2.099  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        6.360  -1.462  -0.040  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1        3.957  -0.879  -0.917  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        2.830  -0.882   0.111  0.00  0.00    +0.023 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4