REMARK  Name = BDB051467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.788  -0.450   0.197  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.507   0.106   0.031  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.396   1.484  -0.140  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.048   1.706  -0.268  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.614   2.609  -0.383  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.386   0.503  -0.197  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.490   2.353  -0.154  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.756   1.781   0.013  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.259  -0.473  -0.027  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.908   0.404   0.186  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.069   0.337  -0.284  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.626  -0.917   0.004  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.009  -1.133  -0.060  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.875  -0.094  -0.418  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        3.317   1.160  -0.711  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.933   1.375  -0.646  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.323  -0.267  -0.499  0.00  0.00    +0.179 A 
ATOM     18  N   LIG    1        6.011  -1.421  -0.234  0.00  0.00    -0.239 N 
ATOM     19  H   LIG    1        5.672  -2.329   0.054  0.00  0.00    +0.192 HD
ATOM     20  N   LIG    1        7.326  -1.237  -0.405  0.00  0.00    -0.046 NA
ATOM     21  N   LIG    1        7.449   0.029  -0.773  0.00  0.00    -0.023 NA
ATOM     22  N   LIG    1        6.222   0.642  -0.836  0.00  0.00    -0.108 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -5.003  -2.486  -0.264  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.024  -3.498  -0.235  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.436  -2.033  -1.056  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -3.955  -1.903   0.401  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -3.223  -2.568   1.119  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3