REMARK  Name = BDB058474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.683  -0.551   0.575  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.616  -0.317   0.091  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.154   0.945   0.253  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.402   1.456  -0.133  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.499   2.801   0.294  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.266   3.104   0.912  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -0.923   4.359   1.514  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.456   3.548   0.165  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.453   1.966   0.892  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.811   1.768   1.398  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.371   0.494   1.237  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.245  -1.837   0.438  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.632  -2.502  -0.024  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.802  -1.646  -0.256  0.00  0.00    +0.253 A 
ATOM     15  N   LIG    1        3.519  -1.258  -0.072  0.00  0.00    -0.194 NA
ATOM     16  C   LIG    1        2.603  -2.203   0.242  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        2.963  -3.539   0.396  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.835  -4.782   0.774  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.292  -3.840   0.215  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1        5.222  -2.923  -0.107  0.00  0.00    -0.217 NA
BRANCH  14  23
ATOM     21  C   LIG    1        4.300   1.406  -0.882  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1        5.603   0.698  -0.931  0.00  0.00    +0.045 A 
ATOM     23  N   LIG    1        5.784  -0.657  -0.649  0.00  0.00    -0.203 N 
ATOM     24  N   LIG    1        7.100  -1.009  -0.804  0.00  0.00    -0.172 NA
ATOM     25  C   LIG    1        7.719   0.113  -1.160  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        6.847   1.201  -1.254  0.00  0.00    +0.044 A 
ENDBRANCH  14  23
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  27
ATOM     27  C   LIG    1       -3.470   0.707  -0.753  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.353   0.018   0.292  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.417  -0.923  -0.302  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -4.790  -2.158  -0.955  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -6.393  -1.357   0.797  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.150  -0.216  -1.301  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -6.893  -0.775  -1.590  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7