REMARK  Name = BDB009239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.259   1.759  -0.145  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.319   1.338  -0.959  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.583   1.941  -0.860  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.755   3.001   0.042  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.697   3.433   0.844  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.450   2.815   0.753  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.843   1.025   0.847  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.435   1.265   1.739  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.060   1.083  -0.289  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.389   0.592  -1.362  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.108   0.312   0.849  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.223   1.102   0.161  0.00  0.00    +0.054 C 
BRANCH  12  17
ATOM     13  C   LIG    1        9.292  -1.756   0.426  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        7.977  -1.036   0.374  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        7.674  -0.043   1.312  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.463   0.651   1.244  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.542   0.373   0.228  0.00  0.00    -0.046 A 
ATOM     18  C   LIG    1        5.851  -0.614  -0.717  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        7.061  -1.307  -0.648  0.00  0.00    +0.003 A 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.727   1.502  -1.748  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.982  -0.003  -1.726  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.817  -0.597  -0.635  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -5.393   0.262   0.454  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.958  -0.540   1.631  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.752  -1.746   1.148  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.879  -2.671   0.297  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.025  -1.925  -0.690  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.409  -2.732  -1.772  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.560  -3.948  -1.837  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.667  -2.038  -2.688  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.231  -2.569  -3.434  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.449  -0.696  -2.688  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6