REMARK  Name = BDB056741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.252  -1.809   1.731  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.160  -1.321   0.375  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.760  -0.410  -0.088  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.472  -0.297  -1.445  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.233   0.564  -2.251  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.273   1.294  -1.665  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.554   1.149  -0.304  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1       -0.585  -1.098  -1.789  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        1.794   0.312   0.522  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.976  -1.690  -0.676  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.540   1.905   0.288  0.00  0.00    -0.437 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.853   1.591  -0.050  0.00  0.00    +0.239 A 
ATOM     13  C   LIG    1        5.835   2.546   0.215  0.00  0.00    +0.104 A 
ATOM     14 CL   LIG    1        5.467   4.085   0.897  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1        7.162   2.242  -0.089  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        7.461   0.999  -0.636  0.00  0.00    +0.061 A 
ATOM     17 CL   LIG    1        9.080   0.585  -1.024  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        6.426   0.103  -0.857  0.00  0.00    +0.134 A 
ATOM     19  N   LIG    1        5.129   0.367  -0.571  0.00  0.00    -0.218 NA
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.115  -2.654  -0.540  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.182  -2.278  -1.417  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.111  -1.375  -0.980  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.024  -0.595   0.173  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.056   0.299   0.497  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.172   0.415  -0.339  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.255  -0.355  -1.497  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.226  -1.243  -1.813  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.002   1.145   1.713  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -5.832   1.971   2.047  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.912   0.913   2.469  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -4.014   1.548   3.209  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7