REMARK  Name = BDB009141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.445   0.795  -1.435  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.407   0.491  -0.330  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.037   0.732   1.106  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.006   0.089   2.103  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.454   0.289   1.674  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.702  -0.313   0.290  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.606   0.001  -0.691  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.910  -0.247  -2.123  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -3.986  -0.711  -2.485  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.917   0.072  -3.008  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -2.106  -0.086  -3.993  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -0.701   0.591  -2.694  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.923   1.386  -1.103  0.00  0.00    +0.092 C 
BRANCH  13  19
ATOM     14  C   LIG    1        3.719  -0.384   0.822  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1        3.942  -1.495  -0.009  0.00  0.00    +0.062 A 
ATOM     16 CL   LIG    1        5.167  -2.654   0.378  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.169  -1.703  -1.151  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        2.179  -0.783  -1.499  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        1.955   0.352  -0.709  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        2.755   0.554   0.429  0.00  0.00    +0.028 A 
BRANCH  14  21
ATOM     21  N   LIG    1        4.567  -0.080   1.903  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1        5.059  -0.899   2.254  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        4.135   0.468   2.639  0.00  0.00    +0.142 HD
ENDBRANCH  14  21
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 3