REMARK  Name = BDB014789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.594   0.217  -0.426  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.861   0.725  -1.260  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.244   1.383  -1.877  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.739   1.374  -1.935  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.068   0.550  -1.039  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.601   0.500  -1.192  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.962  -0.110   0.002  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.594  -0.254   0.361  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.486  -0.894   1.531  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.748  -1.135   1.925  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.971  -1.800   3.185  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.668  -0.702   1.027  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.144  -0.795   1.096  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.717  -0.571  -0.320  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.146   2.085  -2.747  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.812   0.165  -0.291  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.472  -0.490   0.752  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.871  -0.506   0.834  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.647   0.137  -0.133  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.002   0.793  -1.184  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.603   0.806  -1.259  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.094   0.125  -0.043  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        5.974   0.386   1.044  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        5.635   0.790   2.432  0.00  0.00    +0.068 C 
ATOM     25  N   LIG    1        7.258   0.238   0.689  0.00  0.00    -0.176 NA
ATOM     26  N   LIG    1        7.199  -0.106  -0.608  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.422  -0.355  -1.331  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1        5.930  -0.184  -1.096  0.00  0.00    +0.116 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3