REMARK  Name = BDB011647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.243  -2.155   1.828  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.326  -1.031   1.268  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.304  -0.269   1.028  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.379  -3.021   2.434  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.647  -0.691   1.167  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.004   0.708   0.787  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -1.169   1.533   0.442  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.396   0.825   0.837  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.922  -0.485   1.074  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.062  -0.533   1.996  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.818  -1.336   1.281  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -3.049  -2.797   1.504  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.070   1.725  -0.102  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.411   1.039  -1.435  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -5.154   1.992  -2.365  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.408   2.599  -1.732  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.566   2.279  -0.248  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.264   2.470   0.523  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        2.126  -1.294  -0.749  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.536  -1.802   0.584  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.826  -2.020   1.040  0.00  0.00    +0.196 A 
ATOM     22  O   LIG    1        3.770  -2.535   2.297  0.00  0.00    -0.353 OA
ATOM     23  N   LIG    1        2.462  -2.662   2.697  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.708  -2.199   1.688  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.201  -1.837   0.501  0.00  0.00    +0.321 C 
ATOM     26  O   LIG    1        5.773  -0.678   1.115  0.00  0.00    -0.344 OA
ATOM     27  C   LIG    1        5.588   0.491   0.323  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1        6.322   0.340  -1.022  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        5.604   1.197  -2.077  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        7.777   0.817  -0.903  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        6.313  -1.142  -1.431  0.00  0.00    +0.172 C 
ATOM     32  O   LIG    1        5.133  -1.760  -0.925  0.00  0.00    -0.344 OA
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4