REMARK  Name = BDB036177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.203  -0.879  -1.225  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.025  -1.696  -1.358  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.233  -0.919  -1.927  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.590   0.245  -1.083  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.500   0.728  -0.203  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.123   0.525  -0.875  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.827   0.202  -0.422  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.706   1.302  -0.446  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        4.372   2.539  -1.231  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1        5.898   1.326   0.208  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1        6.250   0.226   0.912  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        5.455  -0.909   0.996  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.234  -0.912   0.323  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.571   0.287   1.619  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        8.031   1.319   2.090  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1        8.286  -0.886   1.706  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        9.236  -0.771   2.039  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.120  -1.638   1.052  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.128  -1.503  -0.264  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -8.623   1.209   0.333  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1       -7.220   0.695   0.471  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -6.724   0.437   1.876  0.00  0.00    +0.181 C 
ATOM     23  O   LIG    1       -7.518   0.477   2.808  0.00  0.00    -0.290 OA
ATOM     24  C   LIG    1       -5.253   0.213   2.046  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1       -4.554  -0.155   0.775  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -5.190  -0.002  -0.458  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -4.502  -0.339  -1.626  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.191  -0.821  -1.576  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.536  -0.961  -0.347  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.237  -0.629   0.815  0.00  0.00    +0.133 A 
ATOM     31  F   LIG    1       -2.636  -0.764   2.007  0.00  0.00    -0.205 F 
ATOM     32  N   LIG    1       -6.496   0.485  -0.585  0.00  0.00    -0.249 NA
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 4