REMARK  Name = BDB046899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.975  -0.309  -0.099  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -3.939  -1.462  -0.816  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -2.731  -1.975  -0.592  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -1.945  -1.179   0.260  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.768  -0.117   0.561  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -9.502   1.906  -1.165  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -8.580   1.105  -1.257  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -7.296   1.308  -0.560  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -6.293   0.341  -0.721  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -5.095   0.589  -0.034  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -4.907   1.706   0.750  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -5.912   2.596   0.862  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -6.522  -0.791  -1.532  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -7.658  -0.925  -2.119  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -7.122   2.444   0.230  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -8.678  -0.031  -2.011  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -9.552  -0.182  -2.493  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.550  -1.429   0.724  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.495  -0.834  -0.237  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.889  -1.147   0.132  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.245  -0.625   1.460  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        3.750  -0.422   1.628  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        4.251   0.651   0.647  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        3.511   0.585  -0.704  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        2.834  -0.766  -0.928  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.763   0.617   0.503  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1        6.533   1.701   0.956  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        7.924   1.687   0.829  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1        8.842   3.030   1.392  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        8.575   0.601   0.254  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1        7.820  -0.477  -0.196  0.00  0.00    +0.043 A 
ATOM     32 CL   LIG    1        8.609  -1.830  -0.910  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        6.428  -0.475  -0.075  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5