REMARK  Name = BDB016801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.010   0.723  -0.395  0.00  0.00    +0.150 A 
ATOM      2  N   LIG    1        2.138   0.011   0.436  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1        0.889   0.358   0.026  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.531   0.098   0.341  0.00  0.00    +0.161 C 
ATOM      5  N   LIG    1       -1.194   1.081  -0.591  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -0.235   1.764  -1.407  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -0.410   2.602  -2.276  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.046   1.279  -0.961  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1        2.350   1.513  -1.232  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.573   1.314  -0.625  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.180   2.030  -1.591  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -4.551   2.239  -1.628  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -5.096   3.014  -2.733  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -5.416   1.712  -0.676  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -6.636   1.851  -0.691  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.765   0.940   0.426  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.668   0.403   1.491  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -3.431   0.777   0.423  0.00  0.00    +0.033 A 
ENDBRANCH   5  10
BRANCH   4  19
ATOM     19  C   LIG    1       -0.943  -1.341   0.067  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -0.860  -1.899  -1.222  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.241  -3.223  -1.455  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.711  -4.004  -0.403  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -2.177  -5.635  -0.688  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.804  -3.472   0.880  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.422  -2.148   1.115  0.00  0.00    +0.007 A 
ENDBRANCH   4  19
BRANCH   1  29
ATOM     26  C   LIG    1        8.161   1.712  -0.082  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        6.819   1.083  -0.222  0.00  0.00    +0.076 A 
ATOM     28  S   LIG    1        5.403   2.052  -0.119  0.00  0.00    -0.069 S 
ATOM     29  C   LIG    1        4.439   0.657  -0.365  0.00  0.00    +0.074 A 
ATOM     30  C   LIG    1        5.259  -0.439  -0.537  0.00  0.00    +0.130 A 
ATOM     31  N   LIG    1        6.616  -0.202  -0.423  0.00  0.00    -0.252 NA
ENDBRANCH   1  29
BRANCH   2  32
ATOM     32  C   LIG    1        2.531  -0.842   1.554  0.00  0.00    +0.083 C 
ATOM     33  C   LIG    1        1.776  -0.528   2.846  0.00  0.00    +0.030 C 
ATOM     34  C   LIG    1        2.449  -2.325   1.200  0.00  0.00    +0.030 C 
ENDBRANCH   2  32
TORSDOF 4