REMARK  Name = BDB057076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.794   1.157  -0.395  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        2.263   1.989  -0.604  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        2.189  -0.025  -0.765  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        0.841   0.178  -1.003  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1        0.419   0.896  -0.434  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1        2.727  -1.116  -0.892  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        8.167   2.207   1.320  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        6.768   1.890   0.872  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1        6.315   0.570   0.729  0.00  0.00    +0.046 A 
ATOM     10 CL   LIG    1        7.348  -0.774   1.072  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.006   0.300   0.309  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        4.128   1.344   0.020  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        4.572   2.662   0.169  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.879   2.933   0.588  0.00  0.00    +0.006 A 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -0.025  -0.943  -1.369  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -0.309  -1.833  -0.150  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.617  -2.596  -0.327  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1       -2.789  -1.721  -0.482  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -2.465  -0.390  -1.020  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1       -1.316  -0.440  -2.026  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.569  -1.633   0.766  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.910  -0.948   0.601  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -5.229   0.190   1.355  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.471   0.811   1.208  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.406   0.300   0.310  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.102  -0.833  -0.443  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.861  -1.455  -0.297  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 4