REMARK  Name = BDB062301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.314  -3.382  -0.044  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1       -3.421  -1.920  -0.471  0.00  0.00    +0.105 C 
ATOM      3  N   LIG    1       -2.437  -1.124   0.286  0.00  0.00    -0.337 N 
ATOM      4  H   LIG    1       -1.627  -1.662   0.577  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.169   0.226   0.019  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -0.743   0.643  -0.137  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.414   2.010  -0.181  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.451   2.986  -0.183  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -2.792   2.627  -0.207  0.00  0.00    +0.267 A 
ATOM     10  O   LIG    1       -3.699   3.443  -0.365  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.124   4.403  -0.272  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.936   2.389  -0.268  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.953   1.434  -0.344  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.653   0.077  -0.364  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.304  -0.299  -0.259  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.111   1.192  -0.037  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1       -4.512   0.816   0.212  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1       -5.199   1.226   1.135  0.00  0.00    -0.245 OA
ATOM     19  O   LIG    1       -4.951  -0.061  -0.730  0.00  0.00    -0.459 OA
ATOM     20  C   LIG    1       -4.851  -1.404  -0.249  0.00  0.00    +0.254 C 
ENDROOT
BRANCH  14  21
ATOM     21  N   LIG    1        2.635  -0.931  -0.428  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.307  -1.767  -0.909  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.010  -0.920  -0.096  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        4.941  -1.703  -0.805  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        6.280  -1.611  -0.448  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        7.527  -2.509  -1.228  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        6.755  -0.817   0.538  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        5.851  -0.078   1.206  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.494  -0.094   0.927  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.523  -2.568  -1.860  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        4.115  -3.265  -2.694  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH  14  21
TORSDOF 3