REMARK  Name = BDB060463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.459  -1.216   0.806  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        0.641  -1.206  -0.038  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1        0.750  -1.904  -1.043  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        1.732  -0.286   0.337  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.568   0.481   1.489  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        2.589   1.356   1.858  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.753   1.460   1.087  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        3.920   0.686  -0.071  0.00  0.00    -0.014 A 
ATOM      9  N   LIG    1        0.418   0.407   2.286  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1        2.894  -0.191  -0.443  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.512  -0.407   1.915  0.00  0.00    +0.203 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        5.123   0.788  -0.882  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        6.364   1.181  -0.426  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1        7.207   1.124  -1.500  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        8.197   1.342  -1.533  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1        6.606   0.720  -2.629  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1        5.341   0.512  -2.253  0.00  0.00    +0.142 A 
ENDBRANCH   8  12
BRANCH   1  18
ATOM     18  C   LIG    1       -1.582  -2.088   0.499  0.00  0.00    +0.161 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -4.833  -0.209  -0.232  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -3.821  -0.903   0.439  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -2.680  -1.358  -0.239  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1       -2.565  -1.100  -1.611  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.571  -0.409  -2.285  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.704   0.036  -1.598  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.934   0.892  -0.072  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -5.883   0.170   0.559  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4