REMARK  Name = BDB009018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.879  -1.631   0.809  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.155  -1.665  -0.138  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.476  -1.968   0.234  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.745  -2.278   1.572  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.722  -2.252   2.517  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.583  -1.926   2.139  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.321  -1.094   1.087  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1        2.167  -1.304   0.338  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        2.234  -1.112  -0.655  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.393  -1.166   2.312  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.583  -0.809   0.204  0.00  0.00    +0.234 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.313   0.274  -0.833  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        3.966   1.575  -0.432  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        3.689   2.559  -1.381  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.761   2.258  -2.740  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.118   0.975  -3.152  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.396  -0.012  -2.205  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
BRANCH  11  19
ATOM     18  C   LIG    1        6.430  -1.485   1.531  0.00  0.00    +0.195 C 
ATOM     19  O   LIG    1        5.751  -0.402   0.912  0.00  0.00    -0.366 OA
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.574  -1.994  -0.803  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.812  -1.193  -0.409  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.758   0.304  -0.398  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.513   1.039  -0.808  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.748   2.529  -1.071  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.623   3.145   0.014  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.979   2.442   0.090  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.875   0.945  -0.010  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.090   0.173   0.353  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.130   0.727   0.693  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.979  -1.188   0.276  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -6.798  -1.734   0.521  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.869  -1.881  -0.090  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6