REMARK  Name = BDB001548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.608   0.145   0.674  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1        1.873  -0.292   0.370  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1        1.762  -1.253  -0.619  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1        2.856  -1.890  -1.109  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1        4.022  -1.497  -0.571  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        4.106  -0.503   0.440  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        5.355  -0.159   0.940  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        6.522  -0.766   0.473  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        6.440  -1.737  -0.514  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.191  -2.093  -1.026  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.386  -1.401  -0.921  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        3.024   0.121   0.939  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -0.329  -0.494  -0.137  0.00  0.00    +0.127 A 
ENDROOT
BRANCH  13  14
ATOM     14  N   LIG    1       -1.680  -0.174  -0.027  0.00  0.00    -0.267 N 
ATOM     15  H   LIG    1       -1.981   0.392   0.758  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -2.640  -0.471  -0.975  0.00  0.00    +0.251 C 
ATOM     17  O   LIG    1       -2.407  -0.939  -2.083  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -4.052  -0.082  -0.654  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -4.593   0.058   0.633  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1       -3.707  -0.228   2.092  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -5.935   0.432   0.796  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -6.749   0.663  -0.312  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.229   0.516  -1.593  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.894   0.144  -1.762  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH  13  14
BRANCH  11  25
ATOM     25  C   LIG    1       -0.097  -2.400  -1.825  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -0.427  -3.267  -2.525  0.00  0.00    -0.191 NA
ENDBRANCH  11  25
BRANCH   1  27
ATOM     27  C   LIG    1        0.345   1.151   1.699  0.00  0.00    +0.152 C 
BRANCH  27  29
ATOM     28  C   LIG    1        0.885   3.584   1.385  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        0.127   2.515   1.107  0.00  0.00    -0.013 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 5