REMARK  Name = BDB062924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.114  -1.458   0.353  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.080  -0.642   0.557  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.468   0.276  -0.408  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.839   0.327  -1.476  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.780  -1.025   1.764  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.376  -2.477   1.957  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.069  -2.507   1.472  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        2.466  -1.168  -0.214  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        2.247  -1.933  -0.838  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        1.406  -0.620   0.496  0.00  0.00    +0.238 C 
ATOM     11  O   LIG    1        1.458   0.361   1.235  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        6.511   0.049  -0.421  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.637   0.730   0.423  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.290   0.347   0.509  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.802  -0.718  -0.248  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        4.684  -1.399  -1.093  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        6.027  -1.018  -1.178  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        8.371   1.418   0.135  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.840   0.320  -0.596  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1       -2.704   1.224  -0.093  0.00  0.00    +0.072 C 
ATOM     21  C   LIG    1       -2.549   2.680  -0.704  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1       -3.184   3.232   0.581  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -2.677   1.970   1.295  0.00  0.00    +0.021 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.056   0.455  -0.573  0.00  0.00    -0.032 A 
ATOM     25  C   LIG    1       -4.211   0.037  -1.914  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.357  -0.624  -2.367  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -6.395  -0.883  -1.482  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -7.808  -1.696  -2.028  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -6.292  -0.484  -0.155  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.139   0.176   0.287  0.00  0.00    +0.006 A 
ENDBRANCH  20  24
ENDBRANCH   3  20
TORSDOF 5