REMARK  Name = BDB054424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -0.890   1.220  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.101  -0.310   0.253  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.434  -0.508   0.270  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.052  -1.295   1.233  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.276  -1.884   2.227  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.097  -1.675   2.227  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  15
ATOM      7 CL   LIG    1       -3.068  -0.581  -3.956  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1       -3.431  -0.434  -2.283  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -2.489  -0.606  -1.343  0.00  0.00    +0.113 A 
ATOM     10  N   LIG    1       -2.833  -0.476   0.007  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -4.138  -0.195   0.422  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -4.240  -0.162   1.731  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1       -2.977  -0.412   2.191  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1       -5.127  -0.005  -0.586  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -2.071  -0.607   1.160  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1       -4.791  -0.118  -1.885  0.00  0.00    +0.025 A 
ENDBRANCH   1  15
BRANCH   3  17
ATOM     17  N   LIG    1        2.148   0.107  -0.763  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        1.482   0.707  -1.248  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.461   0.666  -0.627  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1        3.495   2.030   0.096  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1        4.425   2.527  -0.948  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1        5.407   2.404  -0.702  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        3.917   1.474  -1.861  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 3