REMARK  Name = BDB057049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.241   0.572   1.302  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.200  -0.523   0.759  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.060  -1.309   0.749  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -0.962  -1.892  -0.070  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.230  -1.160   0.102  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -3.091  -2.147  -0.055  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.182  -0.816   1.343  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        0.835   0.240   0.438  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        2.337   0.327   0.669  0.00  0.00    +0.110 C 
ATOM     10  N   LIG    1        2.993  -0.961   0.420  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        4.235  -1.101  -0.201  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        4.626  -2.163  -0.683  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        2.191  -2.168   0.602  0.00  0.00    +0.110 C 
ATOM     14  C   LIG    1        1.124  -1.982   1.671  0.00  0.00    +0.041 C 
BRANCH  11  15
ATOM     15  C   LIG    1        5.134   0.072  -0.287  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        5.689   0.406  -1.527  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        6.553   1.496  -1.629  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.873   2.241  -0.492  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.340   1.892   0.750  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.475   0.802   0.857  0.00  0.00    +0.013 A 
ENDBRANCH  11  15
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1       -4.513  -0.652  -0.177  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.880   0.682   0.020  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -6.178   1.129  -0.291  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -7.111   0.214  -0.799  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -6.750  -1.115  -1.006  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.457  -1.544  -0.700  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.556   2.569  -0.049  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -7.674   2.951  -0.730  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -6.817   2.826   1.262  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -5.583   3.446  -0.421  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 4