REMARK  Name = BDB057614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.022   1.190  -2.121  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.796  -0.007  -2.764  0.00  0.00    -0.305 N 
ATOM      3  H   LIG    1        1.931  -0.868  -2.250  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.700   2.286  -2.561  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        6.660  -0.036   1.743  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        6.003   0.042   0.511  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        4.683   0.505   0.449  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        4.042   0.887   1.624  0.00  0.00    +0.139 A 
ATOM      9  O   LIG    1        2.714   1.355   1.606  0.00  0.00    -0.422 OA
ATOM     10  C   LIG    1        1.981   1.431   0.423  0.00  0.00    +0.350 A 
ATOM     11  C   LIG    1        2.694   1.050  -0.812  0.00  0.00    +0.122 A 
ATOM     12  O   LIG    1        0.800   1.760   0.432  0.00  0.00    -0.244 OA
ATOM     13  C   LIG    1        4.679   0.817   2.857  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        3.962   0.614  -0.809  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        5.992   0.352   2.910  0.00  0.00    +0.049 A 
BRANCH   5  17
ATOM     16  C   LIG    1        8.679  -0.871   0.795  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.942  -0.470   1.943  0.00  0.00    -0.495 OA
ENDBRANCH   5  17
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  C   LIG    1        0.846  -0.074  -3.858  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.495  -0.336  -3.281  0.00  0.00    +0.100 A 
ATOM     20  N   LIG    1       -1.040  -1.594  -3.285  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1       -2.199  -1.545  -2.640  0.00  0.00    -0.065 NA
ATOM     22  N   LIG    1       -2.375  -0.280  -2.224  0.00  0.00    -0.251 N 
ATOM     23  C   LIG    1       -1.349   0.521  -2.620  0.00  0.00    +0.135 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.528   0.091  -1.431  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.274  -0.082   0.066  0.00  0.00    +0.024 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.300   0.633   0.951  0.00  0.00    +0.014 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.752   0.205   0.764  0.00  0.00    +0.132 C 
BRANCH  27  28
ATOM     28  P   LIG    1       -6.119  -1.472   1.277  0.00  0.00    +0.369 P 
ATOM     29  F   LIG    1       -5.786  -1.729   2.790  0.00  0.00    -0.156 F 
ATOM     30  O   LIG    1       -5.476  -2.515   0.414  0.00  0.00    -0.254 OA
BRANCH  28  31
ATOM     31  O   LIG    1       -7.734  -1.553   1.240  0.00  0.00    -0.308 OA
ATOM     32  C   LIG    1       -8.458  -1.004   2.321  0.00  0.00    +0.205 C 
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 10