REMARK  Name = BDB044928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.322   1.502  -0.539  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1        4.095   0.143   0.339  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.807   0.680   0.203  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.911   0.147  -0.748  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.347  -0.913  -1.540  0.00  0.00    +0.047 A 
ATOM      6  N   LIG    1        1.310  -1.248  -2.377  0.00  0.00    -0.360 N 
ATOM      7  H   LIG    1        1.341  -1.992  -3.061  0.00  0.00    +0.165 HD
ATOM      8  C   LIG    1        0.235  -0.434  -2.147  0.00  0.00    +0.087 A 
ATOM      9  C   LIG    1        3.627  -1.467  -1.426  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        0.560   0.443  -1.127  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        4.494  -0.919  -0.470  0.00  0.00    +0.047 A 
BRANCH   2  13
ATOM     12  C   LIG    1        6.165   0.232   1.508  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.859   0.752   1.299  0.00  0.00    -0.495 OA
ENDBRANCH   2  13
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1       -1.650   0.967  -0.095  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1       -2.000   0.086   0.923  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1       -3.425  -0.058   0.885  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -3.900   0.736  -0.159  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.258   0.832  -0.484  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -6.163   0.093   0.283  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.724  -0.710   1.332  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.362  -0.795   1.641  0.00  0.00    +0.011 A 
ATOM     22  N   LIG    1       -2.809   1.340  -0.734  0.00  0.00    -0.357 N 
ATOM     23  H   LIG    1       -2.862   1.969  -1.523  0.00  0.00    +0.166 HD
BRANCH  15  24
ATOM     24  C   LIG    1       -1.069  -0.559   1.838  0.00  0.00    +0.261 C 
ATOM     25  O   LIG    1       -1.407  -1.320   2.741  0.00  0.00    -0.296 OA
ENDBRANCH  15  24
ENDBRANCH   1  14
TORSDOF 4