REMARK  Name = BDB018467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.160  -0.840   0.770  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        0.880  -1.267   2.026  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.445  -1.413   2.054  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -1.048  -1.083   0.831  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.006  -0.739   0.017  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.437  -1.106   0.477  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.096   0.041  -0.173  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -4.402  -0.024  -0.488  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -5.208  -1.236  -0.202  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -6.393  -1.253  -0.523  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -4.533  -2.274   0.425  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -5.249  -3.501   0.740  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.189  -2.194   0.744  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -2.423   1.321  -0.488  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.123   1.659  -1.816  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -1.459   2.853  -2.107  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.095   3.712  -1.073  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.270   5.179  -1.431  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.391   3.391   0.251  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.056   2.197   0.543  0.00  0.00    +0.010 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     21  C   LIG    1        3.946   0.762  -1.136  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        2.668   0.332  -0.754  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        2.481  -0.484   0.377  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        3.608  -0.880   1.112  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1        4.888  -0.449   0.727  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.055   0.373  -0.390  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        5.230   2.064  -2.659  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        3.965   1.558  -2.249  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  24  29
ATOM     29  C   LIG    1        3.558  -1.850   2.217  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1        3.331  -3.040   2.118  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        3.877  -1.254   3.379  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        3.735  -1.959   4.043  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH   1  23
TORSDOF 6