REMARK  Name = BDB042521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.986  -0.916   1.715  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.344   0.048   1.296  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.919  -0.106   0.726  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.615   0.942  -0.024  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.132   0.865   0.165  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.645  -0.541   0.011  0.00  0.00    -0.038 C 
ATOM      7  C   LIG    1       -2.807  -1.584   0.156  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.345  -1.480   0.474  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.081  -0.734  -0.284  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.524  -1.614  -1.284  0.00  0.00    +0.131 A 
ATOM     11  F   LIG    1       -4.645  -2.316  -2.016  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -6.881  -1.778  -1.563  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -7.828  -1.055  -0.843  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -7.413  -0.171   0.151  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.050  -0.010   0.426  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.878   1.469   1.417  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.283   1.534   2.025  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.367   1.199   1.028  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.711   2.178   0.123  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.249   3.079   0.145  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.680   2.054  -0.852  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.914   2.983  -1.615  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.393   0.756  -0.908  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        5.048  -0.240   0.020  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1        5.707  -1.475  -0.016  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        6.703  -1.714  -0.966  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        7.042  -0.721  -1.884  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.387   0.510  -1.853  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        6.745   1.434  -2.755  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.003   0.018   1.013  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4