REMARK  Name = BDB009247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.210   1.988  -1.256  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.460   0.785  -1.520  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.600   0.766  -2.341  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.043   1.967  -2.914  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.387   3.168  -2.642  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.269   3.180  -1.809  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.696   3.087   0.206  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.412   2.047  -0.377  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.171   0.896  -0.297  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.048   0.206  -1.026  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.442   0.900   0.407  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.867  -0.513   0.805  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.201  -0.527   1.507  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        6.382  -0.762   0.790  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        7.607  -0.756   1.450  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        8.729  -0.985   0.755  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        7.686  -0.515   2.816  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        6.518  -0.274   3.537  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        5.282  -0.278   2.886  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.320  -0.529  -2.643  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.607  -1.373  -1.405  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.688  -0.957  -0.457  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.530   0.259  -0.726  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.782   0.336   0.154  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.458  -0.014   1.601  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.875  -1.425   1.705  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.861  -1.723   0.634  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.025  -2.933   0.836  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.170  -3.667   1.808  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.087  -3.179  -0.129  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -1.508  -4.004  -0.010  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.859  -2.424  -1.236  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6