REMARK  Name = BDB004540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.754   0.386   0.157  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.855  -0.374  -0.292  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.093   0.294  -0.376  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.203  -0.446  -0.836  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.083  -1.804  -1.188  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.865  -2.455  -1.086  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.189   1.595  -0.020  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.085   2.212   0.416  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.760  -1.745  -0.639  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.873   1.671   0.519  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.574   0.138  -0.983  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.517  -0.534  -1.388  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.763   1.447  -0.657  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.997   2.014  -0.305  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.688   1.845  -0.739  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.516  -0.223   0.242  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.742  -0.596  -0.678  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.620   0.608   0.747  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.925  -0.032   0.272  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -3.776   0.671  -0.598  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.966   0.091  -1.040  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -5.998   0.969  -2.101  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -5.325  -1.191  -0.632  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.486  -1.903   0.224  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.293  -1.329   0.670  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -1.571   0.730   2.305  0.00  0.00    +0.104 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.656   1.522   2.912  0.00  0.00    -0.328 NA
ATOM     28  H   LIG    1       -3.554   1.109   2.657  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -2.652   2.458   2.509  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6