REMARK  Name = BDB048889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.624   0.141   0.057  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.451  -0.741   0.719  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        2.154  -1.492   1.324  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.749  -0.422   0.433  0.00  0.00    +0.104 A 
ATOM      5  C   LIG    1        3.655   0.671  -0.410  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        4.731   1.302  -0.929  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1        5.921   0.781  -0.560  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1        6.103  -0.310   0.279  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        4.981  -0.943   0.801  0.00  0.00    +0.069 A 
ATOM     10 CL   LIG    1        5.117  -2.294   1.843  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1        2.351   1.008  -0.631  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -2.719   0.149   0.199  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -1.964  -0.877   0.792  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.559  -0.902   0.755  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        0.158   0.116   0.124  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -0.573   1.152  -0.462  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -1.976   1.169  -0.417  0.00  0.00    +0.024 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.848   1.167  -0.522  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -4.117   0.171   0.260  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1       -4.827  -1.085   0.499  0.00  0.00    +0.129 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 2