REMARK  Name = BDB052999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140   1.662  -0.472  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.810   2.204  -1.489  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        2.145   1.818  -1.400  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.087   2.284  -2.329  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.695   3.147  -3.350  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.364   3.546  -3.441  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.578   0.918  -0.319  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        3.754   0.568  -0.259  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        1.601   0.527   0.584  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        0.423   3.080  -2.516  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.281   0.884   0.493  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -1.495   1.982  -0.554  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -1.789   2.532  -1.351  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1       -5.760   1.046   1.858  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -4.354   1.136   1.396  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1       -3.381   0.525   2.083  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1       -2.269   0.819   1.387  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -1.367   0.471   1.696  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1       -2.495   1.590   0.278  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -3.850   1.816   0.259  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1        1.948  -0.398   1.661  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.677  -1.838   1.281  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        0.444  -2.437   1.586  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.183  -3.757   1.212  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        1.161  -4.485   0.523  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        2.393  -3.901   0.206  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        2.644  -2.579   0.584  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  N   LIG    1        0.890  -5.872   0.125  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        1.775  -6.478  -0.497  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -0.207  -6.358   0.434  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5