REMARK  Name = BDB061964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.624  -0.754   0.685  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        0.251   0.034  -0.078  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.633  -0.115   0.119  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        2.086  -1.030   1.051  0.00  0.00    +0.156 A 
ATOM      5  O   LIG    1        3.447  -0.991   1.051  0.00  0.00    -0.435 OA
ATOM      6  C   LIG    1        3.753  -0.022   0.129  0.00  0.00    +0.229 A 
ATOM      7  C   LIG    1        1.268  -1.833   1.830  0.00  0.00    +0.050 A 
ATOM      8  N   LIG    1        2.703   0.508  -0.475  0.00  0.00    -0.209 NA
ATOM      9  C   LIG    1       -0.109  -1.670   1.624  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        5.169   0.214  -0.139  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        6.175   0.244   0.842  0.00  0.00    +0.030 A 
ATOM     12 BR   LIG    1        5.833   0.068   2.706  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        7.513   0.465   0.479  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        7.861   0.669  -0.856  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.874   0.662  -1.835  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.542   0.442  -1.478  0.00  0.00    +0.014 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     17  O   LIG    1       -2.334   0.865  -1.130  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -2.773   0.082  -0.295  0.00  0.00    +0.250 C 
ATOM     19  N   LIG    1       -2.032  -0.689   0.577  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -2.546  -1.313   1.188  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -4.257  -0.013  -0.166  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -4.963  -1.193   0.118  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1       -4.205  -2.730   0.339  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -6.363  -1.170   0.207  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -7.070   0.019   0.009  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -6.370   1.194  -0.286  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -4.973   1.183  -0.377  0.00  0.00    +0.047 A 
BRANCH  26  28
ATOM     28  N   LIG    1       -7.108   2.446  -0.497  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1       -6.452   3.490  -0.604  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -8.344   2.380  -0.547  0.00  0.00    -0.126 OA
ENDBRANCH  26  28
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 4