REMARK  Name = BDB040575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.508   1.325   1.079  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.196   1.926   0.023  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.541   1.617  -0.241  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.209   2.425  -1.616  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.253   0.693   0.552  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.524   0.069   1.595  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.219  -1.151   2.615  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.183   0.382   1.852  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.721   0.315   0.341  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -5.654   1.439  -0.084  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -5.817   2.453   0.592  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.314   1.286  -1.280  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.924   2.050  -1.539  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.014   0.412  -2.294  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -6.527   0.528  -3.403  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.971  -0.637  -1.996  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.913  -0.947  -0.512  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.941   1.635   1.340  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.339  -0.407   1.281  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        1.789   0.692   0.652  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.026   0.886  -0.316  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.139  -0.635   2.474  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.157  -1.357   0.385  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1        3.768  -2.487   1.231  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        2.226  -1.986  -0.666  0.00  0.00    +0.030 C 
BRANCH  23  29
ATOM     26  C   LIG    1        7.585   0.481  -0.432  0.00  0.00    +0.111 C 
ATOM     27  C   LIG    1        6.141   0.286  -0.641  0.00  0.00    +0.214 A 
ATOM     28  O   LIG    1        5.502  -0.599   0.185  0.00  0.00    -0.424 OA
ATOM     29  C   LIG    1        4.215  -0.538  -0.284  0.00  0.00    +0.232 A 
ATOM     30  N   LIG    1        4.085   0.302  -1.294  0.00  0.00    -0.111 NA
ATOM     31  N   LIG    1        5.335   0.835  -1.523  0.00  0.00    -0.113 NA
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5