REMARK  Name = BDB017064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800   0.108   0.508  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.831   0.937   0.903  0.00  0.00    -0.329 N 
ATOM      3  C   LIG    1       -1.301   2.156   1.220  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.001   2.174   1.056  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.337   0.906   0.613  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      6 CL   LIG    1       -1.569  -5.536  -1.286  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -1.343  -3.911  -0.768  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -1.192  -2.899  -1.714  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.010  -1.579  -1.293  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -0.984  -1.271   0.073  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.129  -2.297   1.014  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.311  -3.617   0.594  0.00  0.00    +0.020 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1        1.721   0.530   0.320  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1        1.976  -0.760  -0.008  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.252  -1.101  -0.272  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        4.309  -0.213  -0.226  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        4.046   1.115   0.113  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.728   1.489   0.391  0.00  0.00    +0.041 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.122   2.094   0.177  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1        6.417   1.823  -0.070  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1        6.953   3.037   0.124  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1        7.949   3.212   0.021  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1        6.102   4.009   0.464  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1        4.918   3.416   0.502  0.00  0.00    -0.108 NA
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  C   LIG    1       -3.249   0.618   0.999  0.00  0.00    +0.127 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.970   0.850  -0.296  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -4.349  -0.301  -1.194  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.414   0.433  -0.430  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5