REMARK  Name = BDB042601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.441  -1.010  -0.702  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.781  -1.137  -1.595  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        2.014  -0.818  -1.031  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.251  -0.712   0.409  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.288   0.367   0.731  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        4.499   0.265  -0.160  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1        4.420  -0.392  -1.332  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        3.185  -1.058  -1.867  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1        0.675  -1.495  -2.769  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.749   0.919   0.279  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1        6.984   0.281   0.144  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        8.122   0.932   0.589  0.00  0.00    +0.214 A 
ATOM     13  F   LIG    1        9.303   0.310   0.458  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1        8.124   2.155   1.153  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1        6.925   2.755   1.279  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        5.728   2.186   0.868  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.735  -1.289  -1.469  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -5.701   2.244  -0.925  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.871   1.131   0.072  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -4.968   0.049   0.160  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -5.197  -0.958   1.121  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.254  -2.099   1.217  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1       -3.193  -2.092   0.341  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.577  -2.894   0.413  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -2.951  -1.115  -0.594  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.407  -3.000   2.034  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.294  -0.905   1.983  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -7.170   0.163   1.885  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.226   0.229   2.705  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -3.790  -0.073  -0.714  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.971   1.171   0.947  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4