REMARK  Name = BDB017058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.530  -0.783   0.921  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.534  -1.331   0.162  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.580  -0.555   0.411  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.273   0.441   1.318  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.000   0.275   1.603  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.896  -0.749  -0.183  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.033  -1.784  -1.054  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.249  -1.968  -1.607  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.346  -1.171  -1.337  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.196  -0.111  -0.441  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.945   0.101   0.145  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.324   0.753  -0.128  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.283   1.796   0.719  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.551   2.223   0.635  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        6.888   3.024   1.161  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        7.351   1.532  -0.184  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        6.574   0.582  -0.683  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.893  -1.271   1.030  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     19 CL   LIG    1       -6.801   2.184   1.309  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.684   1.246   0.396  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.785   0.407   1.056  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.869  -0.364   0.323  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -3.878  -0.275  -1.079  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.780   0.567  -1.732  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.686   1.329  -0.995  0.00  0.00    +0.020 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4