REMARK  Name = BDB022326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.942   5.062   0.455  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.200   3.818   0.319  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.886   2.592   0.079  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.153   1.399  -0.070  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.855   0.220  -0.408  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.251   0.184  -0.549  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.956   1.365  -0.343  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.331   1.403   0.103  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.914   2.599   0.263  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        2.285   2.555  -0.045  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.181   3.877   0.363  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -1.832   4.910   0.503  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.863  -1.049  -0.839  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.316  -1.612  -1.491  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        4.188  -1.513  -0.673  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        4.729  -2.465  -1.558  0.00  0.00    +0.099 A 
ATOM     17 CL   LIG    1        3.757  -3.090  -2.848  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1        6.046  -2.874  -1.357  0.00  0.00    +0.151 A 
ATOM     19 CL   LIG    1        6.835  -4.027  -2.365  0.00  0.00    -0.060 Cl
ATOM     20  N   LIG    1        6.844  -2.424  -0.366  0.00  0.00    -0.222 NA
ATOM     21  C   LIG    1        6.293  -1.528   0.469  0.00  0.00    +0.133 A 
ATOM     22 CL   LIG    1        7.329  -0.994   1.726  0.00  0.00    -0.062 Cl
ATOM     23  C   LIG    1        4.999  -1.047   0.365  0.00  0.00    +0.065 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1       -1.982   0.177   0.085  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1       -1.401  -0.601   0.407  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.403  -0.209   0.253  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1       -4.238   0.348  -0.908  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -3.936   0.242   1.620  0.00  0.00    +0.039 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -3.490  -1.763   0.236  0.00  0.00    +0.151 A 
ATOM     30  N   LIG    1       -4.697  -2.347   0.069  0.00  0.00    -0.238 NA
ATOM     31  C   LIG    1       -4.728  -3.692   0.099  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -3.616  -4.474   0.298  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -2.436  -3.795   0.473  0.00  0.00    +0.114 A 
ATOM     34  N   LIG    1       -2.339  -2.452   0.453  0.00  0.00    -0.238 NA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 5