REMARK  Name = BDB001318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.811   0.199   0.505  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -1.839   0.942  -0.022  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -1.286   1.926  -0.824  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -2.068   2.799  -1.510  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1       -3.387   2.634  -1.325  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.926   1.619  -0.489  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -5.306   1.521  -0.358  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.168   2.393  -1.026  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.641   3.383  -1.842  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.257   3.493  -1.984  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.119   1.776  -0.771  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1       -3.157   0.743   0.182  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        0.409   0.721   0.095  0.00  0.00    +0.127 A 
ENDROOT
BRANCH  13  14
ATOM     14  N   LIG    1        1.610   0.155   0.516  0.00  0.00    -0.267 N 
ATOM     15  H   LIG    1        1.597  -0.758   0.954  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        2.803   0.855   0.564  0.00  0.00    +0.251 C 
ATOM     17  O   LIG    1        2.921   2.063   0.393  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        4.033   0.064   0.846  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.114  -1.019   1.732  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1        2.783  -1.570   2.686  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        5.331  -1.693   1.904  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        6.469  -1.290   1.205  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.401  -0.207   0.335  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.192   0.468   0.159  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH  13  14
BRANCH  11  25
ATOM     25  C   LIG    1        1.018   2.539  -1.582  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1        1.710   3.127  -2.307  0.00  0.00    -0.191 NA
ENDBRANCH  11  25
BRANCH   1  27
ATOM     27  C   LIG    1       -1.043  -0.903   1.426  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.402  -2.221   0.734  0.00  0.00    +0.021 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -0.628  -4.161  -0.675  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -0.244  -2.822  -0.064  0.00  0.00    -0.002 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 6