REMARK  Name = BDB002758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.560   0.303  -0.340  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.561  -0.320   0.423  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.787  -0.416  -0.225  0.00  0.00    +0.155 A 
ATOM      4 CL   LIG    1        5.123  -1.222   0.512  0.00  0.00    -0.060 Cl
ATOM      5  N   LIG    1        4.088   0.114  -1.422  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1        3.076   0.750  -2.010  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1        1.830   0.874  -1.531  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.653  -0.318   0.798  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1       -2.716   0.072  -0.252  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1       -1.748  -1.003  -0.556  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -0.421  -0.959   0.240  0.00  0.00    +0.122 C 
ATOM     12  N   LIG    1        0.242   0.370   0.172  0.00  0.00    -0.311 N 
ATOM     13  C   LIG    1       -0.586   1.427  -0.446  0.00  0.00    +0.122 C 
ATOM     14  C   LIG    1       -2.027   1.335   0.103  0.00  0.00    +0.103 C 
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  N   LIG    1        2.274  -0.957   1.657  0.00  0.00    -0.353 N 
ATOM     16  H   LIG    1        1.498  -0.476   2.114  0.00  0.00    +0.143 HD
ATOM     17  H   LIG    1        3.095  -1.040   2.251  0.00  0.00    +0.143 HD
ENDBRANCH   2  15
TORSDOF 2