REMARK  Name = BDB004053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182   0.759   0.422  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.522   0.715   0.482  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.178   1.753   1.029  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.502   2.855   1.510  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.136   2.823   1.406  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.540   1.793   0.874  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.410  -0.367  -0.144  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        0.320  -1.025  -0.379  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -4.154  -0.369  -0.443  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.351  -1.647  -0.988  0.00  0.00    +0.100 A 
ATOM     11  C   LIG    1       -3.246  -2.470  -1.240  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.954  -2.024  -0.952  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.728  -0.752  -0.410  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -2.844   0.061  -0.166  0.00  0.00    +0.069 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.120   1.590   0.528  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.265   0.410  -0.252  0.00  0.00    -0.494 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  C   LIG    1       -5.718  -2.158  -1.274  0.00  0.00    +0.340 C 
ATOM     18  O   LIG    1       -6.763  -1.865  -0.726  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.708  -3.055  -2.282  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -6.656  -3.285  -2.380  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1        3.591   1.762   1.111  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        3.887   2.018   2.051  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.508   0.845   0.539  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        5.746   0.592   1.166  0.00  0.00    +0.062 A 
ATOM     25 CL   LIG    1        6.129   1.335   2.683  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.688  -0.269   0.596  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        6.418  -0.880  -0.626  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.214  -0.623  -1.276  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.273   0.238  -0.703  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7