REMARK  Name = BDB016795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.604   0.102   1.298  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1        0.372   0.366   0.187  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1        1.589   0.653   0.968  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.403   0.496   2.303  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        2.534   0.742   3.000  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1        3.429   1.072   2.075  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1        4.846   1.420   2.362  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1        2.872   1.056   0.793  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.038   0.126   2.578  0.00  0.00    +0.273 C 
ATOM     10  O   LIG    1       -0.432  -0.107   3.679  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -5.181  -0.747   2.992  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -4.223  -0.399   1.883  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -4.649  -0.149   0.552  0.00  0.00    +0.181 A 
ATOM     14  N   LIG    1       -3.692   0.143  -0.393  0.00  0.00    -0.195 N 
ATOM     15  C   LIG    1       -4.384   0.316  -1.567  0.00  0.00    +0.152 A 
ATOM     16  N   LIG    1       -5.673   0.151  -1.345  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1       -3.730   0.633  -2.853  0.00  0.00    +0.090 C 
ATOM     18  N   LIG    1       -2.345   0.246  -0.211  0.00  0.00    -0.148 NA
ATOM     19  C   LIG    1       -1.964   0.020   1.010  0.00  0.00    +0.150 A 
ATOM     20  N   LIG    1       -5.839  -0.142  -0.010  0.00  0.00    -0.128 NA
ATOM     21  C   LIG    1       -2.899  -0.322   2.127  0.00  0.00    +0.053 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1        0.520  -0.835  -0.738  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        0.955  -2.088  -0.268  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.078  -3.174  -1.139  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.761  -3.021  -2.486  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        0.916  -4.357  -3.558  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.320  -1.793  -2.970  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.198  -0.706  -2.101  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1        3.565   1.416  -0.439  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1        2.741   2.319  -1.358  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1        4.084   0.185  -1.178  0.00  0.00    +0.030 C 
ENDBRANCH   8  29
TORSDOF 3