REMARK  Name = BDB009073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.357  -1.585   0.551  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.438  -1.382  -0.482  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.666  -2.238  -0.648  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.814  -3.332   0.214  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.105  -3.550   1.238  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.184  -2.680   1.406  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.776   0.446   0.179  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        2.479  -0.762   0.783  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.076  -1.043   1.548  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.046   1.057  -0.591  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.659  -1.044   0.961  0.00  0.00    +0.070 C 
ATOM     12  C   LIG    1        5.288   0.391   0.945  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        4.053   1.006   0.589  0.00  0.00    +0.101 A 
ATOM     14  C   LIG    1        4.334   2.355   0.668  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        3.555   3.582   0.406  0.00  0.00    +0.090 C 
ATOM     16  O   LIG    1        5.611   2.532   1.092  0.00  0.00    -0.359 OA
ATOM     17  N   LIG    1        6.210   1.303   1.278  0.00  0.00    -0.083 NA
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.655  -2.029  -1.774  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.091  -0.581  -1.972  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.939   0.089  -0.936  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.424  -0.660   0.273  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.551   0.061   1.019  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.244   1.546   1.169  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.061   2.209  -0.197  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.247   1.380  -1.152  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -2.779   2.063  -2.385  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -3.051   3.236  -2.616  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.043   1.298  -3.248  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.700   1.749  -4.090  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.685   0.001  -3.062  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4