REMARK  Name = BDB049059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.551   0.361   0.369  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        1.534  -0.434  -0.180  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.218   0.030  -0.321  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.133   1.323   0.077  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        0.863   2.123   0.642  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.175   1.650   0.778  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.619  -1.066   0.818  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        5.397  -1.811   1.364  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        4.140  -1.537   0.544  0.00  0.00    +0.107 C 
ATOM     10  N   LIG    1        3.854  -0.102   0.506  0.00  0.00    -0.330 N 
ATOM     11  C   LIG    1        4.975   0.838   0.601  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        6.243   0.202   0.044  0.00  0.00    +0.041 C 
BRANCH   7  15
ATOM     13  C   LIG    1        9.437  -2.621  -1.201  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        8.782  -1.695  -0.211  0.00  0.00    +0.210 C 
ATOM     15  N   LIG    1        7.441  -1.945  -0.013  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.969  -2.531  -0.690  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        9.400  -0.796   0.348  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.550   1.855  -0.049  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -2.492   1.295   1.055  0.00  0.00    +0.079 C 
ATOM     20  C   LIG    1       -3.792   0.974   0.289  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -3.290   0.514  -1.009  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -2.258   1.494  -1.374  0.00  0.00    +0.094 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -2.590   2.141   2.268  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -3.149   1.383   3.390  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -3.333   3.385   2.088  0.00  0.00    +0.104 C 
ENDBRANCH  19  23
BRANCH  21  26
ATOM     26  C   LIG    1       -4.319   0.378  -2.042  0.00  0.00    +0.122 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.245  -0.796  -1.801  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.745  -2.091  -2.011  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -3.487  -2.263  -2.446  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.525  -3.223  -1.798  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.839  -3.080  -1.368  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -7.364  -1.804  -1.160  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.584  -0.652  -1.373  0.00  0.00    -0.043 A 
ATOM     34  C   LIG    1       -7.213   0.695  -1.147  0.00  0.00    +0.044 C 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   4  18
TORSDOF 6