REMARK  Name = BDB004701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.493  -0.190   0.528  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.356  -0.682  -0.148  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        2.095  -0.236   0.292  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.971  -0.727  -0.406  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.082  -1.607  -1.413  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.316  -1.976  -1.748  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.996   0.653   1.393  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.127   1.122   2.046  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.450  -1.552  -1.179  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.374   0.704   1.610  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        6.085  -1.431  -0.878  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        7.025  -1.706  -1.121  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.295  -1.824  -1.381  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.894  -0.570   0.161  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.862  -0.125   0.771  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.320  -0.306  -0.024  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.356   0.709  -0.028  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.413  -0.868  -0.808  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.717  -0.281  -0.306  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.412   0.669  -1.082  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -4.613   1.210  -0.588  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.071   0.789   0.654  0.00  0.00    +0.135 A 
ATOM     23  O   LIG    1       -6.239   1.417   0.965  0.00  0.00    -0.463 OA
ATOM     24  C   LIG    1       -6.534   2.240  -0.074  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1       -4.415  -0.141   1.455  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -5.570   2.152  -1.052  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -3.222  -0.669   0.948  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4