REMARK  Name = BDB062498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.324  -0.605   1.749  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.558  -0.416   1.122  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        2.752  -0.421   1.867  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.682  -0.621   3.254  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.453  -0.811   3.884  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.280  -0.802   3.131  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.057  -0.226   1.237  0.00  0.00    +0.229 A 
ATOM      8  O   LIG    1        4.063  -0.036  -0.124  0.00  0.00    -0.435 OA
ATOM      9  C   LIG    1        5.382   0.116  -0.431  0.00  0.00    +0.156 A 
ATOM     10  C   LIG    1        6.107   0.012   0.745  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        7.501   0.132   0.702  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        8.094   0.355  -0.547  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        7.331   0.456  -1.718  0.00  0.00    +0.024 A 
ATOM     14 CL   LIG    1        9.808   0.510  -0.646  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        5.936   0.337  -1.686  0.00  0.00    +0.050 A 
ATOM     16  N   LIG    1        5.254  -0.205   1.797  0.00  0.00    -0.209 NA
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  O   LIG    1       -0.898  -0.620   1.137  0.00  0.00    -0.487 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.926  -0.417  -0.273  0.00  0.00    +0.264 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -5.080  -0.551  -1.493  0.00  0.00    +0.156 A 
ATOM     20  C   LIG    1       -4.281  -1.699  -1.526  0.00  0.00    +0.165 A 
ATOM     21  F   LIG    1       -4.804  -2.866  -1.931  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1       -2.942  -1.666  -1.145  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -2.368  -0.465  -0.715  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1       -3.172   0.683  -0.652  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -4.518   0.642  -1.038  0.00  0.00    +0.049 A 
BRANCH  19  26
ATOM     26  O   LIG    1       -6.383  -0.725  -1.876  0.00  0.00    -0.478 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -7.141   0.438  -2.204  0.00  0.00    +0.349 C 
BRANCH  27  29
ATOM     28  O   LIG    1       -8.368   2.110  -0.947  0.00  0.00    -0.247 OA
ATOM     29  C   LIG    1       -7.884   0.989  -0.998  0.00  0.00    +0.343 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -7.982   0.102   0.021  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -7.516  -0.734  -0.202  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8