REMARK  Name = BDB034992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.969   0.128  -0.170  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -1.194  -0.965  -0.260  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.140  -0.819  -0.114  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.746   0.427   0.130  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        2.138   0.521   0.273  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        2.883  -0.638   0.166  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1        2.359  -1.854  -0.067  0.00  0.00    -0.241 NA
ATOM      8 CL   LIG    1        4.589  -0.608   0.326  0.00  0.00    -0.062 Cl
ATOM      9  C   LIG    1       -0.087   1.546   0.225  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.006  -1.901  -0.196  0.00  0.00    +0.140 A 
ATOM     11  C   LIG    1       -1.462   1.393   0.077  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -3.340  -0.070  -0.298  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -3.486  -1.054  -0.514  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -3.746   0.534  -1.003  0.00  0.00    +0.144 HD
ENDBRANCH   1  12
TORSDOF 1