REMARK  Name = BDB052869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.809  -0.626  -1.129  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.627  -2.136  -0.821  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.278  -2.653   0.234  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.942  -2.810  -1.966  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.948  -4.250  -2.076  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -1.330  -1.920  -2.895  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -1.305  -0.673  -2.556  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -5.124   1.978  -0.442  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -3.932   1.276   0.148  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1       -3.745   1.220   1.538  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1       -2.642   0.541   2.058  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -1.706  -0.048   1.203  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.857   0.008  -0.192  0.00  0.00    -0.006 A 
ATOM     14  C   LIG    1       -2.982   0.682  -0.700  0.00  0.00    +0.013 A 
BRANCH  10  15
ATOM     15  O   LIG    1       -4.708   1.818   2.306  0.00  0.00    -0.434 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -4.250   2.354   3.537  0.00  0.00    +0.541 C 
ATOM     17  F   LIG    1       -5.188   3.237   3.966  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.205   1.362   4.461  0.00  0.00    -0.166 F 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   1  19
ATOM     19  C   LIG    1        0.510   0.174  -1.089  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        1.595  -0.182  -0.267  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.764   0.589  -0.242  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        2.866   1.733  -1.032  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        1.798   2.112  -1.842  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        0.633   1.344  -1.866  0.00  0.00    +0.007 A 
BRANCH  21  25
ATOM     25  C   LIG    1        3.854   0.204   0.600  0.00  0.00    -0.066 C 
ATOM     26  C   LIG    1        4.770  -0.118   1.308  0.00  0.00    -0.094 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.859  -0.506   2.155  0.00  0.00    +0.064 C 
ATOM     28  C   LIG    1        6.687   0.571   2.806  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1        7.267  -0.245   1.688  0.00  0.00    +0.017 C 
ENDBRANCH  26  27
ENDBRANCH  21  25
ENDBRANCH   1  19
BRANCH   6  30
ATOM     30  N   LIG    1       -1.723  -2.305  -4.132  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1       -1.765  -1.524  -4.780  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -1.257  -3.112  -4.523  0.00  0.00    +0.145 HD
ENDBRANCH   6  30
TORSDOF 7