REMARK  Name = BDB025591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.216   1.429   0.061  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.224   0.514  -0.494  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.885  -0.642   0.176  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1       -1.370  -0.875   1.286  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1       -0.741   0.988  -1.789  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -1.585   2.229  -2.101  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.010   2.722  -0.718  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.942   0.919   0.676  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -4.580   1.391   0.723  0.00  0.00    -0.317 N 
ATOM     10  H   LIG    1       -4.238   1.721   1.616  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -3.647   0.898  -0.171  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -3.943   0.171  -1.118  0.00  0.00    -0.274 OA
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  O   LIG    1       -0.834   3.223  -2.776  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -1.438   3.955  -2.989  0.00  0.00    +0.210 HD
ENDBRANCH   6  13
BRANCH   3  15
ATOM     15  C   LIG    1        0.112  -1.598  -0.489  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.459  -1.056  -0.428  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.248  -1.108  -1.518  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.400  -0.527  -1.207  0.00  0.00    -0.126 NA
ATOM     19  C   LIG    1        3.325  -0.106   0.091  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        2.092  -0.428   0.607  0.00  0.00    +0.142 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.473   0.622   0.835  0.00  0.00    +0.156 A 
ATOM     22  O   LIG    1        5.683   0.923   0.274  0.00  0.00    -0.461 OA
ATOM     23  C   LIG    1        6.425   1.554   1.218  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1        5.715   1.669   2.389  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        4.455   1.069   2.144  0.00  0.00    +0.051 A 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1       -0.005  -3.053   0.051  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        0.635  -3.288   1.423  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        0.573  -4.061  -0.952  0.00  0.00    +0.010 C 
ENDBRANCH  15  26
ENDBRANCH   3  15
TORSDOF 6