REMARK  Name = BDB003067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.612  -2.298  -1.751  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.954  -1.296  -1.486  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        1.581  -1.297  -1.291  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.842  -2.539  -1.526  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1       -0.611  -2.301  -1.977  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -1.329  -1.407  -1.063  0.00  0.00    -0.307 N 
ATOM      7  C   LIG    1       -0.539  -0.569  -0.157  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        0.793  -0.154  -0.807  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        3.691  -0.033  -1.315  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        3.674   0.967  -2.287  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1        2.796   0.819  -3.764  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        4.409   2.134  -2.073  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.169   2.293  -0.905  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        5.210   1.276   0.062  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        4.467   0.106  -0.152  0.00  0.00    +0.040 A 
BRANCH  14  16
ATOM     16  N   LIG    1        5.993   1.429   1.240  0.00  0.00    -0.288 N 
ATOM     17  C   LIG    1        6.157   0.538   2.272  0.00  0.00    +0.229 A 
ATOM     18  N   LIG    1        6.944   1.041   3.196  0.00  0.00    -0.138 NA
ATOM     19  N   LIG    1        7.324   2.288   2.780  0.00  0.00    -0.138 NA
ATOM     20  C   LIG    1        6.757   2.507   1.615  0.00  0.00    +0.229 A 
ENDBRANCH  14  16
ENDBRANCH   2   9
BRANCH   6  21
ATOM     21  C   LIG    1       -2.688  -1.367  -0.980  0.00  0.00    +0.161 A 
ATOM     22  S   LIG    1       -3.746  -2.204  -2.068  0.00  0.00    -0.060 S 
ATOM     23  C   LIG    1       -5.109  -1.588  -1.240  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -4.706  -0.790  -0.191  0.00  0.00    +0.080 A 
ATOM     25  N   LIG    1       -3.329  -0.666  -0.068  0.00  0.00    -0.225 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -5.608  -0.096   0.727  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.112   0.959   1.510  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -5.944   1.648   2.397  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.283   1.288   2.517  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.790   0.239   1.754  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.958  -0.450   0.865  0.00  0.00    +0.010 A 
ENDBRANCH  24  26
ENDBRANCH   6  21
TORSDOF 4