REMARK  Name = BDB040475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.403   0.582   1.509  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.125  -0.481   2.055  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.460  -0.706   1.689  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.220  -2.083   2.416  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.123   0.128   0.763  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.368   1.178   0.197  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.001   2.252  -1.006  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.034   1.398   0.567  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.583  -0.125   0.393  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.475   1.106   0.542  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.346   1.923   1.451  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.511   1.222  -0.354  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.102   2.034  -0.235  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.978   0.270  -1.223  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.036   0.426  -1.826  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.177  -1.006  -1.319  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.712  -0.762  -0.996  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.038   0.813   1.878  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.474   0.767  -0.137  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.911   0.132   0.952  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.054  -0.863   1.070  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.342   1.973  -0.331  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.285  -0.152  -1.082  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -2.297  -1.175  -1.687  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -3.882   0.655  -2.249  0.00  0.00    +0.027 C 
BRANCH  23  28
ATOM     26  C   LIG    1       -5.351   1.131   0.995  0.00  0.00    +0.150 C 
ATOM     27  N   LIG    1       -5.271  -0.251   0.585  0.00  0.00    -0.336 N 
ATOM     28  C   LIG    1       -4.396  -0.846  -0.306  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -4.794  -2.174  -0.314  0.00  0.00    +0.134 A 
ATOM     30  N   LIG    1       -5.827  -2.398   0.551  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -6.097  -1.227   1.073  0.00  0.00    +0.199 A 
ENDBRANCH  23  28
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5