REMARK  Name = BDB049258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.036   1.459   0.483  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.969   0.135   0.792  0.00  0.00    +0.124 A 
ATOM      3  N   LIG    1       -1.968  -0.694   0.222  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -2.945  -0.259  -0.663  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.698  -1.272  -1.031  0.00  0.00    -0.130 NA
ATOM      6  N   LIG    1       -3.258  -2.388  -0.359  0.00  0.00    -0.137 NA
ATOM      7  C   LIG    1       -2.972   1.117  -0.994  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -2.250  -2.024   0.401  0.00  0.00    +0.231 A 
ATOM      9  C   LIG    1       -2.066   1.942  -0.441  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM     10  N   LIG    1        0.611   3.209   1.442  0.00  0.00    -0.191 NA
ATOM     11  C   LIG    1       -0.119   2.418   1.008  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -0.017  -0.457   1.645  0.00  0.00    -0.322 N 
ATOM     13  H   LIG    1        0.494   0.257   2.174  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1        1.014  -1.372   1.113  0.00  0.00    +0.177 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.046  -0.696   0.279  0.00  0.00    +0.122 A 
ATOM     16  O   LIG    1        2.759   0.293   0.892  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1        3.612   0.798  -0.035  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1        3.462   0.143  -1.234  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        2.447  -0.824  -1.034  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   2  12
TORSDOF 4