REMARK  Name = BDB063044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.859   1.225   0.586  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.289   0.433   0.465  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.319   0.819  -0.401  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        1.195   1.988  -1.160  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.054   2.776  -1.023  0.00  0.00    +0.042 A 
ATOM      6 CL   LIG    1       -0.092   4.224  -1.942  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -0.971   2.409  -0.152  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.617   0.162   2.536  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.920   0.795   1.532  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1       -3.212   1.130   1.189  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -3.404   1.431   0.244  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -4.341   0.627   1.941  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.972  -0.543   1.230  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -4.395  -1.818   1.322  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.959  -2.901   0.647  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.103  -2.720  -0.129  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.682  -1.457  -0.232  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.118  -0.371   0.441  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        2.513  -0.058  -0.524  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        3.717   0.615  -0.619  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        3.699   1.618  -0.492  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.336  -1.269  -0.508  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.000   0.051  -0.787  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        5.235  -1.313  -0.964  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.540  -1.792  -1.131  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.618  -0.910  -1.123  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.394   0.452  -0.950  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.091   0.930  -0.783  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 5