REMARK  Name = BDB040446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.700  -3.341   0.254  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.415  -2.396  -0.117  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        0.662  -2.078  -1.455  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.649  -1.146  -1.803  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        1.815  -0.815  -3.495  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        2.429  -0.496  -0.823  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.143  -0.805   0.525  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.932  -0.028   1.858  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.161  -1.745   0.868  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        3.502   0.513  -1.226  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        4.862   0.254  -0.584  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.312  -0.874  -0.391  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        5.624   1.361  -0.297  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.528   1.176   0.118  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        5.404   2.657  -0.688  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        6.252   3.527  -0.509  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.114   2.929  -1.422  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        3.027   1.954  -1.003  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.744  -2.088  -0.293  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.868  -2.590   0.654  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.810  -2.100   1.537  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.725  -2.453  -1.466  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.657  -1.725   1.254  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.727  -1.015   0.247  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -4.604  -0.489  -0.908  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -2.937   0.172   0.839  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -1.893   0.755   0.090  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -1.141   1.801   0.616  0.00  0.00    +0.165 A 
ATOM     29  F   LIG    1       -0.138   2.329  -0.101  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -1.414   2.300   1.882  0.00  0.00    +0.152 A 
ATOM     31  C   LIG    1       -2.446   1.760   2.634  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -3.206   0.704   2.115  0.00  0.00    +0.008 A 
BRANCH  30  33
ATOM     33  O   LIG    1       -0.684   3.323   2.412  0.00  0.00    -0.504 OA
ATOM     34  H   LIG    1       -0.025   3.581   1.741  0.00  0.00    +0.292 HD
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6