REMARK  Name = BDB040444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.655  -1.157   2.228  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.898  -0.808   1.452  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.974   0.387   0.731  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.109   0.712  -0.030  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.035   2.247  -0.820  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.214  -0.160  -0.107  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.125  -1.355   0.650  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -5.418  -2.511   0.724  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.987  -1.675   1.405  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.479   0.113  -0.923  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.275   0.772  -2.279  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.582   0.265  -3.160  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -5.896   1.980  -2.488  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -5.741   2.398  -3.395  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.425   2.823  -1.543  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -6.754   3.970  -1.832  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.505   2.294  -0.133  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -6.601   0.780  -0.117  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.385  -0.799   0.884  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        0.379  -1.633   1.337  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.208  -2.507   0.863  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.486   0.354   1.301  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.325  -1.407  -0.203  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1        2.820  -2.804   0.237  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        1.467  -1.586  -1.476  0.00  0.00    +0.025 C 
BRANCH  23  32
ATOM     26  C   LIG    1        6.565   0.851   2.759  0.00  0.00    +0.173 C 
ATOM     27  N   LIG    1        6.510   1.053   1.331  0.00  0.00    -0.267 N 
ATOM     28  C   LIG    1        5.546   0.576   0.476  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1        5.907   1.051  -0.778  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.097   0.748  -1.882  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        3.944  -0.031  -1.689  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.577  -0.521  -0.423  0.00  0.00    -0.031 A 
ATOM     33  C   LIG    1        7.099   1.774  -0.557  0.00  0.00    +0.142 A 
ATOM     34  C   LIG    1        4.402  -0.210   0.683  0.00  0.00    +0.032 A 
ATOM     35  N   LIG    1        7.478   1.770   0.723  0.00  0.00    -0.179 NA
ENDBRANCH  23  32
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 5