REMARK  Name = BDB063041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.739   0.071   0.800  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.549  -0.467   0.924  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.682   0.368   0.964  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.505   1.758   0.913  0.00  0.00    +0.053 A 
ATOM      5 CL   LIG    1        2.804   2.892   1.014  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        0.215   2.295   0.807  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.903   1.458   0.750  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.815  -1.976   1.256  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.899  -0.862   0.755  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1       -3.023  -0.410   0.100  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -2.960   0.395  -0.506  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -4.157  -1.286  -0.087  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.315  -0.528  -0.677  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -5.549  -0.543  -2.060  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -6.607   0.187  -2.605  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.435   0.942  -1.777  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.205   0.972  -0.402  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.148   0.243   0.145  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1        3.002  -0.318   1.080  0.00  0.00    +0.250 C 
ATOM     20  N   LIG    1        4.038   0.239   0.357  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        3.843   1.103  -0.135  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.053  -1.336   1.760  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.368  -0.223   0.259  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        5.840  -1.387   0.868  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.175  -1.775   0.717  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        8.050  -1.004  -0.044  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.590   0.159  -0.657  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.256   0.546  -0.506  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 5