REMARK  Name = BDB056071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.456   1.126   0.990  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1        2.183   1.748   0.983  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        2.207   2.967   1.541  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        3.500   3.113   1.895  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        3.783   3.979   2.343  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        4.282   2.036   1.597  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.882   1.122   0.395  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1       -0.326   1.764   0.412  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.476   2.683   0.803  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.250   0.947  -0.180  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -0.527  -0.186  -0.536  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -1.187  -1.242  -1.178  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -2.560  -1.122  -1.437  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.278   0.027  -1.063  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -2.616   1.096  -0.428  0.00  0.00    +0.032 A 
ATOM     16  N   LIG    1        0.795  -0.065  -0.175  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.760   0.132  -1.380  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.576   0.536  -0.225  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -5.665  -0.513   0.815  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -6.977  -1.314   0.769  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -8.146  -0.497   0.918  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -7.953   0.851   0.467  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -6.925   0.947  -0.669  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  24
ATOM     24  N   LIG    1        3.737  -0.110   0.511  0.00  0.00    -0.296 N 
ATOM     25  H   LIG    1        2.964  -0.568   0.022  0.00  0.00    +0.154 HD
BRANCH  24  28
ATOM     26  C   LIG    1        7.270  -0.529  -0.119  0.00  0.00    +0.191 A 
ATOM     27  N   LIG    1        6.106   0.068   0.177  0.00  0.00    -0.207 NA
ATOM     28  C   LIG    1        4.985  -0.675   0.170  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1        5.032  -2.023  -0.103  0.00  0.00    +0.084 A 
ATOM     30  C   LIG    1        6.272  -2.529  -0.389  0.00  0.00    +0.135 A 
ATOM     31 CL   LIG    1        6.473  -4.195  -0.755  0.00  0.00    -0.062 Cl
ATOM     32  N   LIG    1        7.407  -1.823  -0.413  0.00  0.00    -0.210 NA
BRANCH  26  34
ATOM     33  C   LIG    1        9.977  -0.668  -0.616  0.00  0.00    +0.093 C 
ATOM     34  S   LIG    1        8.710   0.513  -0.096  0.00  0.00    -0.089 S 
ENDBRANCH  26  34
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 6