REMARK  Name = BDB018476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.329  -2.138   0.210  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.199  -2.051   1.157  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.052  -3.128   1.930  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.691  -4.294   1.863  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.325  -5.401   2.733  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.755  -4.444   0.986  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.441  -5.455   0.869  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.059  -3.266   0.138  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.519   1.071  -2.263  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1       -2.669   1.200  -0.928  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1       -2.295   0.141  -0.170  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1       -1.762  -1.041  -0.681  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.621  -1.133  -2.069  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.006  -0.062  -2.873  0.00  0.00    +0.068 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -3.433   3.219  -2.410  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1       -2.868   2.110  -3.102  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.609  -0.871   1.277  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.140  -0.115   0.256  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        1.815   0.945   0.832  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.798   0.846   2.177  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        1.063  -0.232   2.443  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.432   2.050   0.171  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        3.316   2.934   0.837  0.00  0.00    +0.095 A 
ATOM     24  C   LIG    1        3.848   4.024   0.118  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1        4.941   5.165   0.832  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        3.522   4.233  -1.226  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        2.661   3.359  -1.877  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.119   2.276  -1.187  0.00  0.00    +0.029 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.752   2.749   2.198  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        4.169   2.642   3.277  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5