REMARK  Name = BDB028263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.508   0.407  -0.055  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.159   0.242  -0.653  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.888   0.951  -1.821  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.640   0.846  -2.444  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.655   0.027  -1.890  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.913  -0.686  -0.712  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -3.932   1.814  -2.397  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.734   2.456  -3.422  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.125   1.853  -1.719  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.857   2.444  -2.101  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.171  -0.581  -0.098  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.422   1.175  -0.577  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.100  -1.539  -0.131  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        1.373  -1.141   0.233  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        2.115   0.147   0.152  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1        3.290   0.180   1.048  0.00  0.00    -0.292 NA
ATOM     17  C   LIG    1        4.096  -1.045   0.916  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        3.296  -2.285   1.325  0.00  0.00    +0.159 C 
ATOM     19  N   LIG    1        1.968  -2.255   0.754  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        1.185  -3.347   0.762  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        0.042  -2.906   0.230  0.00  0.00    +0.143 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.001   1.471   0.942  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        5.485   1.642   1.111  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        4.864   1.800  -0.247  0.00  0.00    +0.020 C 
ENDBRANCH  16  22
ENDBRANCH   6  13
BRANCH   1  25
ATOM     25  C   LIG    1       -4.833  -0.360   1.231  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -6.205  -0.087   1.675  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1       -6.831  -0.306   0.896  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -6.303   0.927   1.768  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4