REMARK  Name = BDB028343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.678  -1.460  -0.140  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.225  -0.172  -0.035  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.129   0.293  -0.998  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.507  -0.544  -2.045  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.492  -0.063  -3.028  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        3.979   1.205  -2.825  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        4.661   1.552  -3.493  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        3.608   2.059  -1.833  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.856  -0.764  -3.965  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.971  -1.831  -2.156  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.726   1.651  -0.967  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.055  -2.286  -1.206  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.301  -1.998   2.804  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.027  -2.160   2.140  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -1.455  -1.323   1.205  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -0.266  -1.946   0.847  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -0.225  -3.124   1.622  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -1.282  -3.244   2.426  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.071  -0.080   0.729  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -2.638   0.036  -0.557  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1       -3.184   1.265  -0.955  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1       -3.899   1.494  -2.514  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -3.169   2.364  -0.090  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -2.609   2.249   1.179  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.061   1.034   1.586  0.00  0.00    +0.011 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -2.667  -1.093  -1.446  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -2.693  -2.010  -2.156  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1        2.307   2.643   0.116  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        2.983   2.305   1.370  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        3.993   2.321   1.201  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        2.815   3.049   2.046  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5