REMARK  Name = BDB044314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.731   2.081  -1.794  0.00  0.00    +0.269 C 
ATOM      2  N   LIG    1        0.254   1.109  -1.740  0.00  0.00    -0.278 N 
ATOM      3  H   LIG    1       -0.030   0.140  -1.709  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.525   3.280  -1.959  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.100  -2.072   1.634  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -4.331  -0.829   1.141  0.00  0.00    -0.003 C 
ATOM      7  C   LIG    1       -4.888  -0.426  -0.262  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -3.905   0.427  -0.979  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.571   0.592  -0.682  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.090   1.524  -1.650  0.00  0.00    +0.151 A 
ATOM     11  N   LIG    1       -3.083   1.877  -2.492  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -1.927  -0.059   0.492  0.00  0.00    +0.040 C 
ATOM     13  N   LIG    1       -4.163   1.211  -2.058  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -5.040   1.348  -2.550  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1       -2.814  -1.199   1.039  0.00  0.00    +0.014 C 
BRANCH   6  16
ATOM     16  C   LIG    1       -4.553   0.335   2.138  0.00  0.00    +0.162 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.989   0.049   3.412  0.00  0.00    -0.394 OA
ATOM     18  H   LIG    1       -4.588  -0.564   3.872  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1        1.608   1.367  -1.803  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        2.573   0.388  -1.791  0.00  0.00    +0.132 A 
ATOM     21  N   LIG    1        3.777   1.039  -1.844  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1        3.653   2.380  -1.915  0.00  0.00    -0.177 NA
ATOM     23  C   LIG    1        2.330   2.577  -1.884  0.00  0.00    +0.157 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.099   0.427  -1.878  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.440  -0.253  -0.574  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        5.576   0.496   0.605  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.894  -0.130   1.810  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.084  -1.510   1.851  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.956  -2.265   0.686  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.637  -1.641  -0.521  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6