REMARK  Name = BDB021912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.081   0.629  -1.135  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.195   0.801  -0.181  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -1.387   0.196  -1.283  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -2.185   0.733  -0.296  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.789   1.525   0.187  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -1.740  -0.549  -2.186  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.545   0.457  -0.048  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -4.253  -0.576  -0.662  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -5.601  -0.794  -0.351  0.00  0.00    +0.046 A 
ATOM     10 CL   LIG    1       -6.416  -2.094  -1.150  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1       -6.265   0.014   0.584  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -7.710  -0.197   0.936  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.546   1.044   1.203  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -4.200   1.260   0.892  0.00  0.00    +0.024 A 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     15  N   LIG    1        3.434  -0.428  -0.538  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1        2.270  -1.325  -0.447  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        1.416  -1.270  -1.712  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1        0.968   0.156  -2.040  0.00  0.00    +0.077 C 
ATOM     19  C   LIG    1        2.168   1.102  -2.026  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1        3.011   0.962  -0.757  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        4.273  -0.575   0.666  0.00  0.00    +0.084 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.535  -0.221   1.725  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.652   0.082   0.522  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4