REMARK  Name = BDB036928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.359   0.898   0.535  0.00  0.00    -0.240 N 
ATOM      2  N   LIG    1        0.230   2.054   0.896  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.447   2.064   0.372  0.00  0.00    -0.134 NA
ATOM      4  C   LIG    1        1.611   0.912  -0.352  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        0.455   0.166  -0.278  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.426  -1.205   0.618  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.334  -0.649   0.660  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.241  -1.272   1.211  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.395  -2.211   1.553  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -1.969  -0.768   1.386  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -1.121  -1.452   1.953  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -1.742   0.656   0.909  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -2.685   0.995  -0.246  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -4.126   0.767   0.182  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        2.882   0.627  -1.063  0.00  0.00    +0.061 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.962   0.037  -0.151  0.00  0.00    +0.034 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.655  -1.383   0.313  0.00  0.00    +0.156 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.558  -2.259  -0.803  0.00  0.00    -0.395 OA
ATOM     19  H   LIG    1        4.450  -2.348  -1.180  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 5