REMARK  Name = BDB022034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.273  -0.514   0.795  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -1.133   0.422   1.149  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.189  -1.377   0.869  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1       -0.174  -2.553   0.524  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.059  -0.689   1.436  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        1.567   0.358   0.430  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        3.082   0.541   0.483  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1        3.796  -0.717   0.275  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        4.979  -0.838  -0.475  0.00  0.00    +0.282 C 
ATOM     10  O   LIG    1        5.326  -1.938  -0.909  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        3.105  -1.950   0.649  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        2.144  -1.713   1.808  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1        5.782   0.354  -0.693  0.00  0.00    +0.189 A 
ATOM     14  O   LIG    1        6.451   0.469  -1.885  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1        7.144   1.633  -1.857  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1        6.954   2.278  -0.659  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        6.086   1.452   0.096  0.00  0.00    +0.054 A 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  20
ATOM     18  C   LIG    1       -4.825   0.053  -0.118  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -3.514   0.238   0.350  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -2.566  -0.798   0.301  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -2.945  -2.030  -0.228  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.246  -2.223  -0.695  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.182  -1.188  -0.641  0.00  0.00    +0.023 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -7.647   2.558  -0.168  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -7.029   1.206  -0.427  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1       -5.706   1.152  -0.025  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1       -5.322   1.998   0.376  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -7.678   0.313  -0.959  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4