REMARK  Name = BDB022296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.737   0.980  -0.207  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.262   1.094  -0.038  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.331   2.360   0.136  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.718   2.442   0.338  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.518   1.295   0.339  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.963   0.038   0.113  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.478   3.533   0.073  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.124   4.848   0.226  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.833   3.466  -0.199  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.571   4.442  -0.323  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.575  -0.043  -0.071  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.431   2.121  -0.319  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.299  -0.293  -0.235  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -1.800  -0.958   0.348  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.409  -0.514   0.994  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -3.713  -0.629  -0.360  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.797  -2.045  -0.874  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.539  -2.340  -2.332  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.930  -2.470  -1.776  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.718  -1.151   0.115  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.328  -1.861  -0.502  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.965  -1.467   0.702  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.846  -2.387   0.102  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.071  -2.616   0.716  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.246  -3.714   0.095  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.479  -2.015   1.856  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        5.624  -1.141   2.416  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.382  -0.838   1.883  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.495  -3.066  -1.104  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        4.150  -3.605  -2.072  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6