REMARK  Name = BDB004054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.295  -1.257   0.386  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -1.955  -1.298   0.483  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.389  -2.295   1.178  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.096  -3.267   1.774  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -3.430  -3.220   1.637  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -4.085  -2.232   0.947  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -3.806  -0.197  -0.361  0.00  0.00    -0.298 N 
ATOM      8  H   LIG    1       -3.039   0.318  -0.787  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9 CL   LIG    1       -4.233   1.570  -2.756  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -5.335   1.370  -1.434  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.012   0.531  -0.345  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -5.952   0.427   0.689  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -7.162   1.129   0.644  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.461   1.947  -0.442  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.545   2.071  -1.483  0.00  0.00    +0.022 A 
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  N   LIG    1       -0.011  -2.396   1.341  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        0.190  -3.215   1.895  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.081  -1.649   0.892  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        0.978  -0.525   0.076  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.119   0.186  -0.330  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.410  -0.186   0.070  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        3.509  -1.325   0.875  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.369  -2.036   1.283  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.517   0.554  -0.372  0.00  0.00    -0.326 N 
ATOM     25  C   LIG    1        5.863  -0.033  -0.204  0.00  0.00    +0.133 C 
ATOM     26  C   LIG    1        6.904   0.825  -0.941  0.00  0.00    +0.178 C 
ATOM     27  O   LIG    1        6.888   2.183  -0.472  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        5.592   2.762  -0.694  0.00  0.00    +0.178 C 
ATOM     29  C   LIG    1        4.485   1.982   0.035  0.00  0.00    +0.133 C 
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5