REMARK  Name = BDB009067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.951   0.812  -1.601  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.178   1.530  -0.678  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.962   2.246  -1.080  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.304   2.263  -2.437  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.540   1.551  -3.361  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.578   0.825  -2.945  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.998  -0.623  -1.797  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        2.059   0.106  -1.095  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.227   0.191  -0.103  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.076  -0.707  -3.017  0.00  0.00    -0.270 OA
BRANCH   7  17
ATOM     11  C   LIG    1        7.375  -2.645  -0.110  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        5.979  -2.167  -0.259  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1        5.053  -2.316   0.740  0.00  0.00    -0.362 N 
ATOM     14  H   LIG    1        5.232  -2.764   1.629  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        3.834  -1.812   0.342  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.649  -1.943   1.233  0.00  0.00    +0.064 C 
ATOM     17  C   LIG    1        3.993  -1.282  -0.938  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.346  -1.546  -1.312  0.00  0.00    +0.035 A 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.784   3.018  -0.074  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.195   2.184   1.137  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.269   1.151   0.999  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.999   0.960  -0.301  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.274   0.123  -0.163  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.035  -1.098   0.716  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.569  -0.685   2.113  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.545   0.416   2.091  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.821   0.671   3.362  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.053   0.027   4.380  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -1.885   1.668   3.329  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.385   1.862   4.189  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.552   2.417   2.244  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4