REMARK  Name = BDB016784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.462   0.789  -0.374  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1        1.844   1.397   0.720  0.00  0.00    -0.323 N 
ATOM      3  C   LIG    1        2.459   2.144   1.788  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        0.530   1.094   0.626  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -0.712   1.339   1.268  0.00  0.00    +0.270 C 
ATOM      6  N   LIG    1       -1.676   0.628   0.486  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -1.013  -0.125  -0.644  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -0.858   2.033   2.259  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.395   0.284  -0.449  0.00  0.00    +0.097 A 
ATOM     10  N   LIG    1        1.573   0.092  -1.086  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.063   0.643   0.658  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.903   0.002  -0.180  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.280   0.007  -0.020  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -6.090  -0.727  -0.981  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.911   0.679   1.022  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -7.127   0.707   1.193  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -5.002   1.396   1.968  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.651   2.122   3.103  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.673   1.358   1.768  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   7  20
ATOM     20  C   LIG    1       -1.019  -1.638  -0.521  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.184  -2.304   0.707  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.186  -3.700   0.770  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.015  -4.448  -0.392  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.017  -6.166  -0.313  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.839  -3.811  -1.617  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.839  -2.416  -1.681  0.00  0.00    +0.007 A 
ENDBRANCH   7  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.556   0.833  -1.352  0.00  0.00    +0.214 A 
ATOM     28  N   LIG    1        5.887  -0.338  -1.393  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        4.569  -0.293  -1.077  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        3.885   0.860  -0.697  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.611   2.053  -0.684  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        5.967   2.040  -1.011  0.00  0.00    +0.068 A 
BRANCH  27  34
ATOM     33  C   LIG    1        8.428  -0.398  -2.023  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        7.900   0.875  -1.663  0.00  0.00    -0.480 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4