REMARK  Name = BDB029452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245  -0.919   0.524  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        1.168  -0.834   0.545  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        1.893  -2.002   0.835  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.246  -3.215   1.108  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.149  -3.279   1.093  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.894  -2.134   0.808  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.236   0.066  -0.465  0.00  0.00    -0.191 N 
ATOM      8  H   LIG    1       -2.278  -0.738  -1.081  0.00  0.00    +0.183 HD
ATOM      9  C   LIG    1       -1.062   0.295   0.231  0.00  0.00    +0.268 C 
ATOM     10  O   LIG    1       -0.656   1.398   0.588  0.00  0.00    -0.268 OA
BRANCH   7  11
ATOM     11  O   LIG    1       -2.793   1.241  -1.033  0.00  0.00    -0.280 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.889   1.679  -0.224  0.00  0.00    +0.190 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.363   1.418   0.173  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -5.162   0.939  -0.622  0.00  0.00    +0.027 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  N   LIG    1        1.818   0.376   0.227  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1        1.247   1.207   0.440  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.097   0.695  -0.262  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        3.643   1.958   0.023  0.00  0.00    +0.145 A 
ATOM     19  F   LIG    1        2.921   2.843   0.728  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1        4.918   2.329  -0.398  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        5.680   1.421  -1.124  0.00  0.00    +0.016 A 
ATOM     22  I   LIG    1        7.584   1.948  -1.765  0.00  0.00    -0.044 I 
ATOM     23  C   LIG    1        5.169   0.160  -1.426  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        3.885  -0.199  -0.995  0.00  0.00    +0.027 A 
ENDBRANCH  15  17
ENDBRANCH   2  15
BRANCH   4  25
ATOM     25  C   LIG    1        2.016  -4.386   1.409  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        2.633  -5.340   1.645  0.00  0.00    -0.191 NA
ENDBRANCH   4  25
TORSDOF 7