REMARK  Name = BDB009243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   1.802  -0.765  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.834   0.922  -1.374  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.896   1.413  -2.152  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.018   2.799  -2.332  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.127   3.678  -1.715  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.090   3.182  -0.927  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.696   0.065  -0.216  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.404  -0.397  -1.066  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.202   1.319   0.079  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.660   2.040   0.957  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.845  -0.484   0.484  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.168   0.062  -0.061  0.00  0.00    +0.057 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.845  -0.464   1.785  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        5.362  -0.694   0.483  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        5.987  -1.660  -0.323  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        7.079  -2.383   0.153  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.555  -2.150   1.439  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.941  -1.195   2.253  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.634   0.761   3.824  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.176   0.487   2.507  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -2.869   0.478  -2.838  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.355  -0.668  -1.956  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.480  -0.437  -0.996  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.113   0.919  -0.860  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -6.018   1.048   0.369  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.887  -0.190   0.548  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.026  -1.445   0.703  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.884  -1.496  -0.274  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.200  -2.805  -0.424  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -4.536  -3.790   0.226  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -3.174  -2.844  -1.328  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -2.698  -3.732  -1.449  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -2.747  -1.809  -2.099  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7