REMARK  Name = BDB017986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.699   1.649  -3.799  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.694   1.236  -2.763  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1        2.958   1.443  -1.402  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.990   1.067  -0.494  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1        2.063   1.182   0.885  0.00  0.00    -0.283 N 
ATOM      6  H   LIG    1        2.834   1.570   1.406  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1        0.905   0.717   1.499  0.00  0.00    +0.243 C 
ATOM      8  C   LIG    1       -0.051   0.197   0.358  0.00  0.00    +0.134 C 
ATOM      9  N   LIG    1       -1.357   0.881   0.521  0.00  0.00    -0.281 NA
ATOM     10  C   LIG    1       -2.421  -0.113   0.675  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1       -1.690  -1.319   1.274  0.00  0.00    +0.102 C 
ATOM     12  C   LIG    1       -2.439  -2.630   1.148  0.00  0.00    +0.218 C 
ATOM     13  N   LIG    1       -3.364  -2.751   0.150  0.00  0.00    -0.315 N 
ATOM     14  H   LIG    1       -3.836  -3.649   0.171  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -4.084  -1.621  -0.381  0.00  0.00    +0.106 C 
ATOM     16  O   LIG    1       -2.185  -3.603   1.855  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.160  -0.447  -0.627  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.361  -1.322   0.503  0.00  0.00    +0.069 C 
ATOM     19  O   LIG    1        0.706   0.725   2.705  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        0.766   0.513  -0.876  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        0.491   0.311  -2.219  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.458   0.683  -3.160  0.00  0.00    +0.004 A 
ENDROOT
BRANCH  18  23
ATOM     23  C   LIG    1        0.760  -2.199   1.035  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        1.651  -2.797   0.129  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        1.474  -2.598  -1.188  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        2.709  -3.596   0.566  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        3.793  -4.313  -0.565  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        2.898  -3.816   1.927  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        2.025  -3.234   2.844  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        0.967  -2.433   2.403  0.00  0.00    +0.007 A 
ENDBRANCH  18  23
BRANCH   9  31
ATOM     31  C   LIG    1       -1.676   2.104  -0.187  0.00  0.00    +0.089 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -0.812   3.249   0.252  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -0.829   3.729   1.683  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -1.428   4.583   0.603  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH   9  31
TORSDOF 3