REMARK  Name = BDB007182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.361  -0.739  -0.370  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1        0.676   0.564  -0.215  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1       -0.785   0.348   0.164  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.485  -0.692  -0.452  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -2.843  -0.893  -0.171  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -3.504  -0.076   0.751  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -2.794   0.953   1.402  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1       -0.748  -1.559  -1.430  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -1.442   1.158   1.103  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        0.719  -1.773  -1.074  0.00  0.00    +0.225 C 
ATOM     11  O   LIG    1        1.273  -2.796  -1.483  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1        0.842   1.512  -1.415  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        0.456   2.861  -1.288  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.597   3.758  -2.352  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.133   3.322  -3.559  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        1.309   4.425  -4.866  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        1.533   1.998  -3.708  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        1.392   1.101  -2.643  0.00  0.00    +0.007 A 
ENDBRANCH   2  12
BRANCH   1  22
ATOM     19  C   LIG    1        5.360  -1.164   1.124  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.548  -2.277   0.925  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        3.245  -2.139   0.430  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        2.713  -0.881   0.117  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.544   0.233   0.331  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        4.851   0.095   0.824  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        7.482  -0.332   1.797  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.605  -1.437   1.613  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  22
BRANCH   7  27
ATOM     27  O   LIG    1       -3.512   1.703   2.300  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -2.839   2.754   2.977  0.00  0.00    +0.277 C 
ENDBRANCH   7  27
BRANCH   6  29
ATOM     29  O   LIG    1       -4.821  -0.215   1.109  0.00  0.00    -0.487 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -5.684  -1.013   0.301  0.00  0.00    +0.244 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.759  -2.449   0.834  0.00  0.00    +0.119 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -6.694  -3.293   0.087  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1       -7.636  -2.909   0.161  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -6.459  -3.283  -0.904  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 8