REMARK  Name = BDB057066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.479   0.344   0.448  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.654  -0.418   0.134  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.849   0.229   0.364  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.798   1.237   0.337  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.559  -1.553  -0.325  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        4.641  -3.038  -1.356  0.00  0.00    +0.239 C 
ATOM      7  N   LIG    1        3.619  -2.300  -0.772  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        3.560  -1.937   0.643  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1        2.221  -1.341   1.063  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        1.820  -0.192   0.128  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        2.001  -0.538  -1.365  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        2.443  -1.981  -1.583  0.00  0.00    +0.110 C 
ATOM     13  O   LIG    1        4.607  -3.429  -2.521  0.00  0.00    -0.271 OA
BRANCH   6  15
ATOM     14  C   LIG    1        6.770  -4.193  -0.932  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        5.829  -3.341  -0.505  0.00  0.00    +0.060 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1       -3.147  -0.317   0.299  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.221   0.582   0.308  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -5.551   0.126   0.268  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1       -5.792  -1.253   0.209  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.727  -2.152   0.210  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.411  -1.686   0.260  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -6.691   1.111   0.251  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1       -6.439   2.227   0.992  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -7.854   0.598   0.742  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.977   1.553  -1.004  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  26
ATOM     26  C   LIG    1        0.430   1.455   1.408  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.034   2.779   0.794  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        0.456   3.157  -0.489  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        0.079   4.389  -1.027  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.712   5.263  -0.285  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.124   4.910   0.997  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.749   3.678   1.537  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6