REMARK  Name = BDB034176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.048   0.403   1.518  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.356  -0.777   0.738  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.694  -0.521   0.020  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.719   0.100   0.934  0.00  0.00    -0.039 C 
ATOM      5  C   LIG    1        2.357   0.631   2.115  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        0.929   0.677   2.583  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.127   0.082   0.511  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.663   0.914  -0.477  0.00  0.00    +0.137 A 
ATOM      9 CL   LIG    1        3.735   2.106  -1.304  0.00  0.00    -0.061 Cl
ATOM     10  N   LIG    1        5.955   0.903  -0.879  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        6.768   0.012  -0.253  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        6.344  -0.857   0.744  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        5.005  -0.817   1.129  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.199  -0.004  -0.697  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.504   0.931  -1.662  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.722   1.466  -2.035  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.791   0.990  -2.300  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        9.003  -0.801  -0.228  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.394   0.259   2.091  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.640  -0.360  -1.661  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1       -6.401  -1.713  -0.969  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -7.120  -2.696  -1.134  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -5.366  -1.741  -0.075  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1       -5.240  -2.592   0.455  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.459  -0.688   0.021  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.550   0.391  -0.859  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1       -3.615   1.420  -0.794  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -2.598   1.377   0.161  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -2.495   0.295   1.051  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1       -3.438  -0.742   0.972  0.00  0.00    +0.032 A 
ATOM     31  O   LIG    1       -5.497   0.484  -1.842  0.00  0.00    -0.478 OA
BRANCH  20  33
ATOM     32  C   LIG    1       -9.099  -0.159  -0.978  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -7.710   0.457  -0.917  0.00  0.00    +0.051 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5