REMARK  Name = BDB045674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.217  -1.788  -1.204  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.674  -0.907  -0.303  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.957  -0.952   0.091  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.813  -1.877  -0.371  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        2.352  -2.741  -1.286  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1        1.061  -2.735  -1.750  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.119  -1.747  -1.673  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -1.426  -2.669  -1.954  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -4.161   0.018  -1.383  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -3.238   0.817  -0.748  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1       -3.414   1.684  -0.243  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -1.987   0.344  -0.794  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1       -2.091  -0.841  -1.403  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1       -3.433  -1.075  -1.810  0.00  0.00    +0.069 A 
BRANCH   9  19
ATOM     15  C   LIG    1       -8.021   1.599   1.246  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1       -7.519   1.012   0.013  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1       -6.147   1.080  -0.226  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1       -5.404   1.748   0.503  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.612   0.413  -1.519  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -6.464  -0.770  -1.978  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -7.928  -0.378  -2.012  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -8.370   0.005  -0.610  0.00  0.00    +0.107 C 
ENDBRANCH   9  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  N   LIG    1        2.424   0.012   0.990  0.00  0.00    -0.302 N 
ATOM     24  C   LIG    1        1.381   0.820   1.605  0.00  0.00    +0.132 C 
BRANCH  23  25
ATOM     25  C   LIG    1        3.559  -0.382   1.821  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.901  -0.015   1.155  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        6.067  -0.576   1.982  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        7.415  -0.240   1.343  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        7.579   1.274   1.146  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.410   1.864   0.354  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        5.062   1.507   0.985  0.00  0.00    +0.006 C 
BRANCH  29  32
ATOM     32  N   LIG    1        8.851   1.550   0.473  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1        8.908   2.541   0.240  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        8.883   1.051  -0.417  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7