REMARK  Name = BDB040593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.023  -1.218   0.933  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.361   0.069   0.504  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.702   0.461   0.357  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        2.756  -0.446   0.630  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.397  -1.736   1.077  0.00  0.00    +0.046 A 
ATOM      6 CL   LIG    1        3.572  -2.933   1.510  0.00  0.00    -0.083 Cl
ATOM      7  C   LIG    1        1.054  -2.115   1.217  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.230  -0.056   0.466  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1        4.559   0.536  -0.903  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        3.984   0.192  -1.934  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        5.592   1.440  -0.947  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        5.809   1.820  -1.859  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.442   1.801   0.068  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        7.412   2.524  -0.142  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.172   1.192   1.422  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        4.697   0.865   1.598  0.00  0.00    +0.027 C 
ENDBRANCH   4   8
BRANCH   3  17
ATOM     17  C   LIG    1        1.937   1.818  -0.059  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        2.158   2.917  -0.356  0.00  0.00    -0.191 NA
ENDBRANCH   3  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.421  -1.631   1.044  0.00  0.00    +0.139 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.966  -2.203  -0.913  0.00  0.00    +0.223 C 
ATOM     21  N   LIG    1       -1.845  -2.328  -0.149  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.234  -3.057  -0.497  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -3.054  -2.971  -1.877  0.00  0.00    -0.275 OA
BRANCH  20  25
ATOM     24  C   LIG    1       -4.733  -1.578   0.748  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -4.077  -1.168  -0.590  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -5.185  -1.281  -1.668  0.00  0.00    +0.025 C 
BRANCH  25  27
ATOM     27  C   LIG    1       -3.549   0.277  -0.648  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -3.877   1.241   0.319  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.381   2.546   0.231  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.560   2.915  -0.831  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.240   1.984  -1.813  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.732   0.679  -1.724  0.00  0.00    +0.004 A 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6