REMARK  Name = BDB011197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.466  -0.358  -0.203  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -1.472   0.636   0.052  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.659   0.187   0.600  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -3.572   1.105   1.077  0.00  0.00    +0.127 A 
ATOM      5  N   LIG    1       -3.390   2.435   0.999  0.00  0.00    -0.250 NA
ATOM      6  C   LIG    1       -2.314   2.916   0.346  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -2.183   4.310   0.175  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -1.135   4.851  -0.575  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.225   4.008  -1.189  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.334   2.631  -1.014  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.962  -1.237   0.675  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1       -3.933  -1.571   1.353  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -2.106  -2.098  -0.012  0.00  0.00    -0.228 N 
ATOM     14  C   LIG    1       -1.333   2.043  -0.196  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -0.797  -1.722  -0.340  0.00  0.00    +0.337 A 
ATOM     16  O   LIG    1        0.060  -2.515  -0.732  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        5.205  -0.386   0.536  0.00  0.00    +0.403 C 
ATOM     18  N   LIG    1        3.832  -0.301   0.327  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1        2.981  -0.233   1.510  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        1.563  -0.729   1.245  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        0.971  -0.020   0.011  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1        1.876  -0.283  -1.202  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        3.289   0.223  -0.925  0.00  0.00    +0.113 C 
ATOM     24  O   LIG    1        5.719  -0.581   1.632  0.00  0.00    -0.226 OA
BRANCH  17  26
ATOM     25  C   LIG    1        7.335  -0.319  -0.436  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.921  -0.219  -0.609  0.00  0.00    -0.454 OA
ENDBRANCH  17  26
ENDBRANCH   1  21
BRANCH  13  27
ATOM     27  C   LIG    1       -2.539  -3.475  -0.173  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -1.663  -4.568  -0.085  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -2.124  -5.877  -0.262  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1       -1.022  -7.195  -0.132  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -3.464  -6.131  -0.533  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -4.353  -5.066  -0.623  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -3.894  -3.756  -0.444  0.00  0.00    +0.026 A 
ENDBRANCH  13  27
BRANCH   7  34
ATOM     34  O   LIG    1       -3.157   5.078   0.778  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -3.075   6.489   0.649  0.00  0.00    +0.277 C 
ENDBRANCH   7  34
TORSDOF 4