REMARK  Name = BDB040421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314  -0.798  -2.127  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.967  -0.351  -1.480  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.240   1.004  -1.287  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.420   1.416  -0.651  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.650   3.128  -0.522  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.363   0.483  -0.168  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.075  -0.882  -0.382  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.146  -2.158   0.095  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.894  -1.288  -1.019  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.633   0.954   0.540  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.847   0.303   1.905  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.927   0.037   2.676  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.152   0.097   2.286  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.282  -0.320   3.197  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.288   0.575   1.684  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.385   0.471   2.225  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.101   1.309   0.378  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.866   0.817  -0.359  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.475  -1.760  -1.491  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.293  -1.146  -1.126  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.275  -0.634  -0.253  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.693  -2.111  -2.649  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.718  -2.749  -0.853  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.502  -1.946  -0.343  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        2.828  -2.803   0.754  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.965  -0.551   0.127  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1        3.873  -0.114   1.408  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        4.306   1.194   1.770  0.00  0.00    +0.138 A 
ATOM     29  N   LIG    1        4.827   1.995   0.765  0.00  0.00    -0.307 N 
ATOM     30  C   LIG    1        5.171   3.188   1.346  0.00  0.00    +0.112 A 
ATOM     31  C   LIG    1        4.839   3.056   2.675  0.00  0.00    +0.131 A 
ATOM     32  C   LIG    1        4.939   1.585  -0.556  0.00  0.00    +0.093 A 
ATOM     33  N   LIG    1        4.302   1.819   2.929  0.00  0.00    -0.236 NA
ATOM     34  C   LIG    1        4.526   0.353  -0.897  0.00  0.00    +0.023 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5