REMARK  Name = BDB051745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.105   1.423   0.054  0.00  0.00    -0.230 N 
ATOM      2  C   LIG    1       -0.957   2.143  -0.233  0.00  0.00    +0.097 A 
ATOM      3  C   LIG    1        0.454   1.772  -0.245  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        1.390   2.785  -0.401  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        1.007   4.242  -0.453  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.440   4.512  -0.918  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        2.699   2.369  -0.369  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        3.063   1.084  -0.209  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1        2.083   0.185  -0.053  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        0.782   0.492  -0.042  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1       -1.371   3.449  -0.448  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.737   3.485  -0.103  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1       -3.152   2.271   0.307  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -3.001  -2.726   0.068  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -3.744  -1.835   0.840  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1       -3.439  -0.468   0.829  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -2.371   0.022   0.060  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1       -1.653  -0.869  -0.741  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -1.962  -2.234  -0.725  0.00  0.00    +0.048 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.239  -4.626   0.777  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.191  -4.077  -0.012  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH  12  22
ATOM     22  C   LIG    1       -3.649   4.638  -0.126  0.00  0.00    +0.262 C 
ATOM     23  O   LIG    1       -3.328   5.764  -0.490  0.00  0.00    -0.269 OA
ATOM     24  N   LIG    1       -4.919   4.355   0.293  0.00  0.00    -0.324 N 
ATOM     25  H   LIG    1       -5.144   3.400   0.546  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.626   5.072   0.274  0.00  0.00    +0.145 HD
ENDBRANCH  12  22
BRANCH   9  27
ATOM     27  N   LIG    1        2.368  -1.164   0.115  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        1.522  -1.562   0.510  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        3.602  -1.460   0.833  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        3.519  -2.872   1.427  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        4.028  -3.773   0.314  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        5.203  -2.991  -0.245  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        4.795  -1.522  -0.139  0.00  0.00    +0.022 C 
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5