REMARK  Name = BDB040497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.813  -0.581  -0.438  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.492  -1.770  -0.165  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.845  -1.756   0.206  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.571  -3.308   0.468  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.566  -0.549   0.332  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.867   0.642   0.040  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.609   2.206   0.084  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.514   0.623  -0.330  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.034  -0.557   0.757  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.332   0.360   1.940  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.556   0.515   2.882  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.569   0.958   1.955  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.759   1.555   2.748  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.645   0.680   1.151  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.751   1.158   1.383  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        7.414  -0.309   0.034  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.966  -0.286  -0.430  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.644  -0.586  -0.813  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.788   0.146   0.384  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.461  -0.157   0.300  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.061  -0.276   1.225  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.208   0.286   1.538  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.689   0.367  -0.867  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -3.586  -0.799  -1.871  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -3.235   1.682  -1.538  0.00  0.00    +0.027 C 
BRANCH  23  30
ATOM     26  C   LIG    1       -8.391  -0.183   1.185  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1       -7.150   0.141   0.462  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1       -7.236   1.113  -0.481  0.00  0.00    -0.360 OA
ATOM     29  N   LIG    1       -5.998   1.301  -1.063  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1       -5.157   0.458  -0.442  0.00  0.00    +0.098 A 
ATOM     31  C   LIG    1       -5.861  -0.323   0.514  0.00  0.00    +0.071 A 
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5