REMARK  Name = BDB030734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.507   3.915   2.452  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.931   2.839   1.568  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.034   2.001   0.944  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.389   0.955   0.108  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.589   0.069  -0.401  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.961   0.237  -0.160  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.355   1.308   0.634  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.839   0.779  -0.196  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.187  -0.126  -1.203  0.00  0.00    -0.335 N 
ATOM     10  H   LIG    1       -1.432  -0.339  -1.846  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.187  -1.191  -1.093  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.589  -0.623  -0.814  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -4.678   0.237   0.436  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -4.096   1.516   0.214  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -3.232  -1.924  -2.450  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -2.745  -2.203  -0.021  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -2.731   1.552   0.463  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        1.407   2.177   1.181  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.293   2.614   1.428  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -3.144   3.251   2.053  0.00  0.00    -0.264 OA
ENDROOT
BRANCH   6  21
ATOM     21  N   LIG    1        2.863  -0.714  -0.677  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.545  -1.119  -1.555  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.159  -1.099  -0.262  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.127  -1.530  -1.190  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        6.391  -1.853  -0.716  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        7.671  -2.394  -1.736  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        6.761  -1.783   0.582  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        5.824  -1.372   1.455  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.536  -1.022   1.085  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.819  -1.632  -2.581  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        4.502  -1.715  -3.694  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 3