REMARK  Name = BDB016934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.219   0.776  -0.624  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1       -0.369   0.064   0.388  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1        0.956   0.628   0.067  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.921   1.456  -1.007  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        2.140   1.957  -1.290  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        2.944   1.458  -0.356  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1        2.237   0.620   0.521  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.424   1.573  -1.508  0.00  0.00    +0.273 C 
ATOM      9  O   LIG    1       -0.771   2.226  -2.479  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1       -5.606   1.996  -2.578  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -4.766   1.347  -1.509  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -5.332   0.679  -0.391  0.00  0.00    +0.181 A 
ATOM     13  N   LIG    1       -4.479   0.104   0.523  0.00  0.00    -0.195 N 
ATOM     14  C   LIG    1       -5.295  -0.472   1.467  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1       -6.555  -0.252   1.151  0.00  0.00    -0.132 NA
ATOM     16  C   LIG    1       -4.782  -1.217   2.634  0.00  0.00    +0.090 C 
ATOM     17  N   LIG    1       -3.116   0.105   0.507  0.00  0.00    -0.148 NA
ATOM     18  C   LIG    1       -2.607   0.721  -0.518  0.00  0.00    +0.150 A 
ATOM     19  N   LIG    1       -6.578   0.474  -0.020  0.00  0.00    -0.128 NA
ATOM     20  C   LIG    1       -3.421   1.375  -1.588  0.00  0.00    +0.053 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.441  -1.448   0.223  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.927  -2.240   1.278  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.011  -3.628   1.151  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.613  -4.240  -0.035  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.711  -5.950  -0.189  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.137  -3.475  -1.096  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.054  -2.086  -0.970  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1        4.422   1.745  -0.262  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1        4.831   3.039  -0.974  0.00  0.00    +0.171 C 
ATOM     30  O   LIG    1        5.480   2.690  -2.210  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1        5.342   1.280  -2.393  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1        5.239   0.700  -0.999  0.00  0.00    +0.041 C 
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1        2.780  -0.084   1.679  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1        1.956   0.130   2.950  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        3.007  -1.569   1.403  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4