REMARK  Name = BDB063047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -3.859  -1.056  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -0.023  -2.521  -0.619  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1        1.337  -2.332  -0.298  0.00  0.00    +0.056 A 
ATOM      4 CL   LIG    1        2.444  -3.658  -0.443  0.00  0.00    -0.082 Cl
ATOM      5  C   LIG    1        1.787  -1.060   0.085  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        0.903   0.024   0.156  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.447  -0.161  -0.152  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -0.904  -1.425  -0.546  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.197  -0.817   0.455  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        3.854   0.040  -0.407  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        3.330   0.390  -1.199  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        3.626  -1.351   1.468  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  C   LIG    1        5.192   0.477  -0.320  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        5.644   1.357  -1.313  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.957   1.837  -1.298  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.830   1.441  -0.289  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.391   0.566   0.702  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.077   0.086   0.686  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   5   9
BRANCH   7  19
ATOM     19  C   LIG    1       -1.351   1.018  -0.086  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1       -2.667   0.761   0.220  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -2.922  -0.137   0.609  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.900   2.141  -0.277  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.594   1.850   0.423  0.00  0.00    +0.139 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.997   1.327   0.569  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.759   1.019  -0.567  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -7.049   0.504  -0.435  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.587   0.286   0.832  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.835   0.580   1.968  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.544   1.095   1.839  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   7  19
TORSDOF 5