REMARK  Name = BDB004683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.247  -1.904  -1.082  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        1.860  -1.815  -0.840  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.214  -0.611  -1.187  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.171  -0.534  -0.919  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.855  -1.570  -0.411  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -0.158  -2.667  -0.127  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.951   0.445  -1.782  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.314   0.334  -2.017  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.157  -2.836  -0.302  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.962  -0.838  -1.662  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.439  -4.183  -0.175  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.975  -5.014   0.028  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        2.438  -4.168   0.002  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.061  -3.118  -0.753  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.264  -3.168  -0.991  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.870   0.650  -1.236  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.379   1.438  -0.822  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.290   0.704  -0.898  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.491   1.359   0.450  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.582   2.753   0.560  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.746   3.356   1.811  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.774   2.589   2.977  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.735   1.198   2.862  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.570   0.587   1.615  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -3.057   3.188   4.210  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1       -2.757   2.639   5.010  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1       -2.762   4.156   4.274  0.00  0.00    +0.142 HD
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5