REMARK  Name = BDB047055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.206   3.243  -0.643  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.596   1.939  -0.320  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.362   0.919  -0.122  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.270  -0.472   0.190  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.571  -0.967   0.227  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -2.462   0.096   0.040  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -3.879   0.060   0.132  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -4.527   0.859  -0.543  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.998  -2.393   0.368  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -1.713   1.240  -0.257  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.118   2.552  -0.575  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.144   3.540  -0.769  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -4.649  -0.849   1.012  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -5.823  -1.438   0.525  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -6.577  -2.274   1.352  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -6.166  -2.502   2.665  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -7.094  -3.533   3.682  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.012  -1.896   3.163  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -4.254  -1.060   2.339  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1        0.906   5.463  -1.122  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        1.244   4.119  -0.807  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        0.993  -1.254   0.433  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.783  -1.297  -0.861  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        3.103  -0.801  -0.935  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        3.802  -0.878  -2.146  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.214  -1.456  -3.273  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        1.924  -1.965  -3.203  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        1.217  -1.892  -2.006  0.00  0.00    +0.007 A 
BRANCH  24  29
ATOM     29  O   LIG    1        3.607  -0.263   0.221  0.00  0.00    -0.478 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.969   0.191   0.261  0.00  0.00    +0.278 C 
ATOM     31  C   LIG    1        5.911  -0.984   0.498  0.00  0.00    +0.064 C 
BRANCH  30  32
ATOM     32  C   LIG    1        5.096   1.163   1.438  0.00  0.00    +0.346 C 
ATOM     33  O   LIG    1        6.152   1.646   1.823  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1        3.911   1.456   2.027  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1        3.188   0.971   1.573  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8