REMARK  Name = BDB053418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.353   0.434  -0.545  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1       -2.538   0.842  -1.819  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -3.404   1.087  -2.263  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -1.329   0.972  -2.420  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -1.080   1.339  -3.550  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.392   0.559  -1.339  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        0.934   0.549  -1.522  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -1.113   0.245  -0.207  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.960   0.181  -0.533  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.206   0.827  -0.595  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.182   0.458   0.309  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.433   0.987   0.387  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.977   0.232   1.489  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.055  -0.733   2.037  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        3.968  -0.522   1.248  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        2.767  -1.189   1.334  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.759  -0.834   0.429  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -3.391   0.241   0.309  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1       -3.076  -0.185   1.177  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -5.644  -0.171   1.117  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.731  -0.126  -0.096  0.00  0.00    +0.101 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3