REMARK  Name = BDB055108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.483   0.645  -0.633  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -2.160   0.499  -0.307  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -1.744  -0.284   0.172  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.484   1.605  -0.748  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -2.467   2.382  -1.338  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -2.220   3.578  -1.911  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.919   3.949  -1.857  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1        0.125   3.220  -1.281  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1        1.707   3.913  -1.339  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1       -0.136   1.972  -0.681  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1       -3.693   1.784  -1.260  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -6.699   0.764  -1.305  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -5.966  -0.321  -0.607  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.585  -0.392  -0.308  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -4.412  -1.591   0.342  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -5.653  -2.158   0.398  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -6.003  -3.428   0.985  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -6.615  -1.410  -0.169  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  N   LIG    1        0.763   1.113  -0.057  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        1.232   1.580   1.265  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        2.170   0.513   1.871  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        3.401   0.266   1.085  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.236   0.687  -0.326  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        1.816   0.533  -0.923  0.00  0.00    +0.120 C 
BRANCH  22  25
ATOM     25  C   LIG    1        3.830  -1.133   1.225  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.244  -1.376   0.789  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.300  -0.576   1.181  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        7.583  -0.797   0.831  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        7.797  -1.873   0.060  0.00  0.00    +0.221 A 
ATOM     30  N   LIG    1        6.862  -2.731  -0.375  0.00  0.00    -0.243 NA
ATOM     31  C   LIG    1        5.599  -2.460   0.009  0.00  0.00    +0.119 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  10  19
TORSDOF 4