REMARK  Name = BDB003395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.081  -1.684   0.834  0.00  0.00    +0.145 A 
ATOM      2  C   LIG    1       -2.070  -0.973   0.107  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.072   0.441   0.181  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -3.063   1.169  -0.508  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -4.030   0.526  -1.278  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.021  -0.858  -1.379  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.074   1.079   0.941  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1       -0.054   0.378   1.603  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -3.052  -1.598  -0.698  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.082  -1.022   1.569  0.00  0.00    +0.112 A 
ATOM     11 CL   LIG    1        1.089  -1.943   2.461  0.00  0.00    -0.077 Cl
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1       -1.083  -3.061   0.840  0.00  0.00    -0.505 OA
ATOM     13  H   LIG    1       -2.006  -3.361   0.870  0.00  0.00    +0.292 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1       -1.063   2.455   1.042  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1       -0.367   2.641   1.708  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
BRANCH   8  16
ATOM     16  N   LIG    1        0.896   1.142   2.322  0.00  0.00    -0.250 NA
ATOM     17  C   LIG    1        2.136   1.218   1.932  0.00  0.00    +0.121 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.776   0.696   0.713  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.040   0.135   0.824  0.00  0.00    +0.120 A 
ATOM     20  N   LIG    1        4.747  -0.341  -0.228  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        4.161  -0.251  -1.442  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        2.909   0.308  -1.654  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.208   0.801  -0.555  0.00  0.00    +0.012 A 
ENDBRANCH  17  18
ENDBRANCH   8  16
TORSDOF 4