REMARK  Name = BDB040550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -1.708   0.326  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.381  -1.174   1.192  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.733  -1.112   0.827  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.799  -0.409   1.996  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.175  -1.577  -0.431  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.190  -2.095  -1.299  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.555  -2.647  -2.901  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        0.842  -2.163  -0.923  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.636  -1.499  -0.869  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.609  -2.141   0.116  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.360  -3.177   0.728  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.846  -1.551   0.226  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.488  -2.001   0.863  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.398  -0.606  -0.601  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.589  -0.316  -0.526  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.494  -0.022  -1.658  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.038  -0.063  -1.224  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.033  -1.719   0.703  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.847   0.616   0.750  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.710  -0.597   0.102  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.933  -0.648  -0.885  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.510   0.770   1.922  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -1.310   2.107  -1.170  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -2.397   1.764  -0.121  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1       -2.597   3.032   0.733  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.700   1.321  -0.764  0.00  0.00    +0.101 A 
ATOM     27  C   LIG    1       -4.992   1.149  -0.207  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.785   0.750  -1.246  0.00  0.00    +0.234 A 
ATOM     29  O   LIG    1       -5.023   0.624  -2.357  0.00  0.00    -0.362 OA
ATOM     30  N   LIG    1       -3.718   0.965  -2.062  0.00  0.00    -0.082 NA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.462   1.370   1.245  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -4.942   0.461   2.328  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -6.373   0.363   1.898  0.00  0.00    +0.009 C 
ENDBRANCH  27  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6