REMARK  Name = BDB050459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.681   1.130  -1.156  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -0.086   2.383  -1.343  0.00  0.00    +0.150 A 
ATOM      3 CL   LIG    1       -1.015   3.836  -1.292  0.00  0.00    -0.060 Cl
ATOM      4  N   LIG    1        1.227   2.595  -1.573  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1        2.011   1.497  -1.618  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1        1.544   0.197  -1.442  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        0.168   0.026  -1.224  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -2.372  -1.227  -0.546  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.818  -0.087  -0.643  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -2.075   1.043  -0.918  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -2.561   1.935  -0.921  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1       -4.304   0.172  -0.436  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -4.966   0.840  -1.640  0.00  0.00    +0.093 C 
ATOM     14  N   LIG    1       -5.553   2.096  -1.153  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -4.895   2.865  -1.275  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -5.804   1.889   0.274  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -4.608   1.088   0.746  0.00  0.00    +0.029 C 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        2.480  -0.987  -1.505  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.459  -1.013  -0.416  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1        3.125  -1.526   0.877  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        4.079  -1.485   1.902  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        3.798  -1.965   3.189  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.546  -2.503   3.469  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        1.586  -2.561   2.464  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.410  -0.929   1.621  0.00  0.00    +0.262 A 
ATOM     26  O   LIG    1        6.277  -0.846   2.483  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1        5.624  -0.508   0.339  0.00  0.00    -0.274 N 
ATOM     28  H   LIG    1        6.529  -0.111   0.138  0.00  0.00    +0.173 HD
ATOM     29  C   LIG    1        1.873  -2.080   1.180  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.718  -0.493  -0.681  0.00  0.00    +0.330 A 
ATOM     31  O   LIG    1        5.045  -0.016  -1.767  0.00  0.00    -0.246 OA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4