REMARK  Name = BDB006643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.555   0.949  -1.638  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        1.376   0.355  -1.172  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.057   0.587  -0.916  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.495  -0.770  -0.430  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.601  -1.689  -0.415  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.625  -2.871  -0.121  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.707  -0.929  -0.875  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        3.023  -1.079  -1.107  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1        3.570   0.060  -1.617  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.822  -1.058  -0.105  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.820  -0.162  -0.267  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -4.126  -0.496   0.077  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1       -4.497  -1.726   0.585  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -5.794  -1.740   0.800  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1       -6.296  -0.511   0.440  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -3.477  -2.707   0.783  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -3.774  -4.072   1.347  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -5.295   0.232   0.013  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1       -5.383   1.630  -0.463  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -2.207  -2.366   0.449  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1       -0.130   1.697   0.115  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.503   2.992  -0.293  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.583   4.037   0.631  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.289   3.802   1.971  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.389   5.090   3.106  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        0.086   2.531   2.397  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.167   1.484   1.474  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   1  29
ATOM     28  C   LIG    1        2.165   2.597  -3.481  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        2.784   2.342  -2.115  0.00  0.00    +0.054 C 
ENDBRANCH   1  29
BRANCH   8  30
ATOM     30  C   LIG    1        3.851  -2.249  -0.892  0.00  0.00    +0.172 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.734  -2.095   0.340  0.00  0.00    +0.182 C 
BRANCH  31  32
ATOM     32  O   LIG    1        3.939  -2.219   1.524  0.00  0.00    -0.381 OA
ATOM     33  C   LIG    1        4.719  -2.049   2.700  0.00  0.00    +0.194 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   8  30
TORSDOF 6