REMARK  Name = BDB008512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424  -0.357   0.879  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.724  -0.248   0.561  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.643  -0.690   1.437  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.273  -1.260   2.638  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.927  -1.339   2.883  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.006  -0.894   2.028  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.452   0.140  -0.081  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.089   0.513  -0.847  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        4.665   0.474  -0.511  0.00  0.00    -0.005 A 
ATOM     10  C   LIG    1        3.781   0.961  -1.482  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.396   0.840  -1.317  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.843   0.222  -0.185  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.729  -0.276   0.772  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.117  -0.160   0.612  0.00  0.00    +0.009 A 
BRANCH   9  15
ATOM     15  C   LIG    1        6.155   0.600  -0.727  0.00  0.00    +0.211 C 
BRANCH  15  16
ATOM     16  N   LIG    1        6.918   0.666   0.497  0.00  0.00    -0.302 NA
ATOM     17  H   LIG    1        7.893   0.789   0.234  0.00  0.00    +0.121 HD
ATOM     18  H   LIG    1        6.648   1.516   0.988  0.00  0.00    +0.121 HD
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  O   LIG    1        6.612  -0.528  -1.427  0.00  0.00    -0.373 OA
ATOM     20  H   LIG    1        6.612  -1.224  -0.749  0.00  0.00    +0.212 HD
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1       -4.026  -0.606   1.150  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1       -4.525  -0.202   1.939  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.647  -0.231  -0.069  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -5.912   0.393  -0.060  0.00  0.00    +0.062 A 
ATOM     25 CL   LIG    1       -6.689   0.782   1.438  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -6.568   0.725  -1.250  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.978   0.421  -2.474  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.741  -0.219  -2.506  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.088  -0.549  -1.314  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7