REMARK  Name = BDB017328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.648   3.850   1.039  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.474   4.376   1.894  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.717   2.872   1.202  0.00  0.00    +0.072 C 
ATOM      4  C   LIG    1        1.336   1.644   2.071  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1        2.271   0.604   1.501  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        2.116   0.841   0.002  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        3.033  -0.224  -0.546  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        2.738  -1.356   0.350  0.00  0.00    -0.285 N 
ATOM      9  C   LIG    1        3.337  -2.564   0.135  0.00  0.00    +0.302 C 
ATOM     10  N   LIG    1        3.003  -3.629   0.919  0.00  0.00    -0.296 N 
ATOM     11  H   LIG    1        3.515  -4.449   0.611  0.00  0.00    +0.151 HD
ATOM     12  O   LIG    1        4.177  -2.733  -0.751  0.00  0.00    -0.253 OA
ATOM     13  C   LIG    1        2.071  -0.893   1.583  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        2.332   2.333  -0.122  0.00  0.00    +0.027 C 
BRANCH  10  15
ATOM     15  C   LIG    1        1.741  -3.875   1.544  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        1.612  -3.926   3.042  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        1.499  -5.189   2.243  0.00  0.00    +0.024 C 
ENDBRANCH  10  15
ENDBRANCH   1   3
BRANCH   1  20
ATOM     18  C   LIG    1       -1.875   2.121  -0.868  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1       -0.719   2.377  -0.228  0.00  0.00    -0.198 NA
ATOM     20  C   LIG    1       -0.568   3.552   0.412  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1       -1.581   4.504   0.394  0.00  0.00    +0.099 A 
ATOM     22 CL   LIG    1       -1.459   6.027   1.185  0.00  0.00    -0.078 Cl
ATOM     23  C   LIG    1       -2.728   4.162  -0.280  0.00  0.00    +0.137 A 
ATOM     24  N   LIG    1       -2.900   2.984  -0.908  0.00  0.00    -0.221 NA
BRANCH  18  25
ATOM     25  N   LIG    1       -1.938   0.875  -1.493  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1       -1.045   0.419  -1.345  0.00  0.00    +0.155 HD
BRANCH  25  31
ATOM     27  C   LIG    1       -6.084  -0.253  -3.808  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1       -4.755  -0.264  -3.246  0.00  0.00    -0.273 N 
ATOM     29  N   LIG    1       -3.965  -1.339  -3.433  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1       -2.837  -1.006  -2.797  0.00  0.00    +0.157 A 
ATOM     31  C   LIG    1       -2.910   0.271  -2.202  0.00  0.00    +0.071 A 
ATOM     32  C   LIG    1       -4.168   0.724  -2.511  0.00  0.00    +0.131 A 
ENDBRANCH  25  31
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 5