REMARK  Name = BDB009921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.753  -0.863  -0.153  0.00  0.00    -0.226 N 
ATOM      2  C   LIG    1       -0.109   0.444   0.129  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        1.272   0.540  -0.571  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.070  -0.782  -0.552  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.468  -1.947   0.262  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        1.657  -1.790   1.783  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.040  -2.066  -0.027  0.00  0.00    +0.236 C 
ATOM      8  O   LIG    1       -0.564  -3.181  -0.081  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.985   1.665  -0.193  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.329   2.007  -1.512  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.119   3.129  -1.777  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.573   3.920  -0.725  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.546   5.301  -1.052  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.246   3.598   0.589  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.457   2.476   0.854  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.107   1.715  -0.066  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.581   1.777   1.254  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.325   2.876   1.688  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        3.885   2.935   3.314  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.611   3.926   0.821  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.150   3.877  -0.493  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.404   2.780  -0.933  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  N   LIG    1       -2.185  -0.892  -0.131  0.00  0.00    -0.224 NA
BRANCH  23  25
ATOM     24  C   LIG    1       -4.205  -1.025   1.305  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -2.772  -1.488   1.070  0.00  0.00    +0.102 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.820  -1.186  -1.418  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -3.064  -2.648  -1.774  0.00  0.00    +0.022 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        2.109  -3.298  -0.187  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.605  -3.431  -0.013  0.00  0.00    +0.306 C 
ATOM     30  O   LIG    1        4.353  -2.584   0.444  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        4.058  -4.637  -0.432  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        3.356  -5.231  -0.761  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8