REMARK  Name = BDB043933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.309   0.181   0.665  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.396   1.097   0.124  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.045   1.070   0.482  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -0.393   0.105   1.409  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.521  -0.807   1.951  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.866  -0.771   1.579  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.797   0.011   1.822  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -2.754  -0.664   1.169  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.740  -1.467  -0.057  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.059  -1.908  -0.236  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.444  -2.700  -1.300  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -3.457  -3.060  -2.220  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -2.131  -2.624  -2.050  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -0.939  -3.088  -3.204  0.00  0.00    -0.084 Cl
ATOM     15  N   LIG    1       -4.878  -1.441   0.788  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -5.865  -1.620   0.887  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -1.760  -1.823  -0.966  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -4.165  -0.673   1.695  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1       -4.591  -0.135   2.698  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1        3.589   0.331   0.207  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.613  -0.526   0.710  0.00  0.00    +0.229 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.938  -1.630  -1.549  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        4.686  -1.843  -0.063  0.00  0.00    +0.038 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   3  24
ATOM     24  O   LIG    1       -0.916   1.919   0.003  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.582   2.864  -1.011  0.00  0.00    +0.229 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.052   4.169  -0.418  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -1.052   4.825   0.524  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7