REMARK  Name = BDB040466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.833   1.387  -0.712  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.098   1.030   0.616  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.285   0.373   0.959  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        2.509  -0.017   2.629  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.245   0.050  -0.021  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.966   0.418  -1.351  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.777   1.071  -1.692  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.550  -0.649   0.347  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.140  -1.497  -0.776  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        4.625  -2.546  -1.159  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.255  -1.006  -1.411  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        6.601  -1.565  -2.179  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.796   0.250  -1.306  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        7.641   0.641  -2.106  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.241   1.139  -0.222  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        5.609   0.319   0.892  0.00  0.00    +0.027 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.467   2.058  -1.074  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.412   0.903  -0.082  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.536   1.087  -1.137  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.458   0.371  -1.845  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.370   1.628   0.910  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -4.057  -0.292  -1.624  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.393  -0.300  -0.227  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -2.535  -1.582  -0.120  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.522  -0.229   0.826  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -5.366   0.901   0.869  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.411   0.995   1.791  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.640  -0.038   2.693  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.820  -1.162   2.673  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.772  -1.257   1.751  0.00  0.00    +0.004 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5