REMARK  Name = BDB009238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.475   0.648   2.938  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.771   1.063   2.457  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.902   0.252   2.627  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.773  -0.949   3.341  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.532  -1.353   3.839  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.596  -0.561   3.631  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.785   0.829   2.264  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        2.659  -0.124   1.946  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.657   1.505   2.680  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.576   2.722   2.776  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.918   1.548   1.709  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.639   2.146   0.324  0.00  0.00    +0.054 C 
BRANCH  12  16
ATOM     13  C   LIG    1        4.537  -1.789  -2.715  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        3.582  -0.794  -2.124  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        4.035   0.168  -1.211  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.157   1.125  -0.682  0.00  0.00    -0.046 A 
ATOM     17  C   LIG    1        1.816   1.117  -1.088  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.363   0.175  -2.009  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.242  -0.775  -2.528  0.00  0.00    +0.003 A 
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.240   0.673   2.065  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.190   0.993   0.572  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.051  -0.117  -0.424  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.024  -1.555   0.014  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.230  -2.544  -1.138  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.405  -2.146  -2.355  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -2.786  -0.746  -2.840  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -2.960   0.239  -1.717  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.025   1.672  -2.102  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -2.947   2.029  -3.273  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.183   2.560  -1.074  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.224   3.546  -1.313  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.255   2.250   0.247  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6