REMARK  Name = BDB006204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.117   0.140   0.380  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.081  -0.818   0.320  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.079  -0.080   0.440  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.558  -0.166   0.514  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1        1.940   1.260   0.751  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.817   2.128   0.723  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.763   3.341   0.837  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.315   1.244   0.541  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.623   1.417   0.446  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.292   1.654   0.996  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        3.659   3.004   1.120  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.989   3.374   1.358  0.00  0.00    +0.078 A 
ATOM     13 CL   LIG    1        5.393   5.043   1.496  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        5.972   2.401   1.477  0.00  0.00    +0.142 A 
ATOM     15  F   LIG    1        7.251   2.733   1.704  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        5.639   1.060   1.363  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        4.310   0.690   1.126  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        2.049  -0.722  -0.815  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        2.711  -1.912  -0.759  0.00  0.00    -0.256 NA
ATOM     20  C   LIG    1        3.188  -2.424  -1.922  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1        3.047  -1.806  -3.152  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1        3.678  -2.522  -4.577  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        2.382  -0.590  -3.203  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        1.879  -0.037  -2.025  0.00  0.00    +0.027 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.431   0.748  -0.169  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.516  -0.062   0.519  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -3.992  -1.027   1.420  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.366  -1.205   1.600  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.271  -0.422   0.886  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.805   0.549  -0.001  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.228   2.983  -0.698  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.009   1.637  -1.124  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.298  -2.292   0.082  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -0.468  -3.148   1.037  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -1.019  -2.664  -1.375  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5