REMARK  Name = BDB020846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.112  -0.318  -0.542  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.636  -0.790  -1.660  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1        1.792  -1.488  -1.412  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.249  -1.873  -2.638  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.460  -1.404  -3.579  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.260  -1.741  -0.120  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.556  -1.348   0.910  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        0.438  -0.717  -2.961  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.396  -0.642   0.669  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.481   0.925   0.498  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.213   1.190   1.270  0.00  0.00    +0.212 C 
ATOM     12  N   LIG    1       -4.014   0.887   0.638  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1       -3.922   0.249  -0.676  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -2.595  -0.474  -0.868  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -1.401   0.486  -0.715  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -1.663   1.580   0.343  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -2.763   1.196   1.326  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1       -5.266   1.651   2.410  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   6  19
ATOM     19  N   LIG    1        3.438  -2.421   0.119  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        3.498  -2.551   1.128  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.720  -1.898  -0.355  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.954  -0.453  -0.090  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1        4.628   0.406  -1.099  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1        4.891   1.660  -0.653  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1        5.383   1.621   0.631  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        5.423   0.254   0.998  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4