REMARK  Name = BDB037273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.405   5.230  -0.543  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.535   4.435  -0.212  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -1.884   3.045   0.126  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -1.667   2.047  -0.823  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.804   0.706  -0.461  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.171   0.376   0.863  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.454   1.406   1.761  0.00  0.00    +0.048 A 
ATOM      8  N   LIG    1       -2.802   0.816   2.955  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1       -3.049   1.324   3.794  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -2.659  -0.546   2.870  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1       -2.289  -0.859   1.577  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.908  -2.188   1.127  0.00  0.00    +0.090 A 
ATOM     13  N   LIG    1       -0.693  -2.207   0.530  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1       -0.221  -3.373   0.092  0.00  0.00    +0.216 A 
ATOM     15  N   LIG    1       -0.898  -4.518   0.194  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1       -2.111  -4.463   0.782  0.00  0.00    +0.129 A 
ATOM     17  N   LIG    1        1.016  -3.443  -0.526  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1        1.031  -4.324  -1.027  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.391  -2.265  -1.301  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        2.032  -1.132  -0.460  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1        3.363  -0.920  -1.048  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        3.292  -1.351  -2.436  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1        3.970   0.391  -0.812  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.252   1.641  -1.361  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1        2.427   2.224  -0.349  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        1.663   3.323  -0.850  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1        0.908   3.978   0.309  0.00  0.00    +0.132 C 
ATOM     28  C   LIG    1        2.480  -2.627  -2.314  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1       -2.687  -3.311   1.269  0.00  0.00    +0.099 A 
ATOM     30  C   LIG    1       -2.329   2.759   1.423  0.00  0.00    +0.039 A 
ATOM     31  N   LIG    1       -0.211   4.802  -0.133  0.00  0.00    -0.309 N 
ATOM     32  H   LIG    1       -0.040   5.772  -0.366  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  29  33
ATOM     33  C   LIG    1       -4.036  -3.331   1.882  0.00  0.00    +0.421 C 
ATOM     34  F   LIG    1       -4.710  -4.493   1.628  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.009  -3.230   3.239  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1       -4.861  -2.344   1.438  0.00  0.00    -0.166 F 
ENDBRANCH  29  33
TORSDOF 1