REMARK  Name = BDB018154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.028  -1.420  -1.607  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.402  -2.207  -0.462  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -1.133  -2.057  -0.461  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -1.451  -1.345   0.866  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.220  -0.917   1.464  0.00  0.00    -0.347 OA
ATOM      6  C   LIG    1        0.800  -1.794   0.967  0.00  0.00    +0.159 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.352  -0.208   0.775  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -2.204   0.884  -0.044  0.00  0.00    +0.146 A 
ATOM      9  C   LIG    1       -3.264   1.747   0.200  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -3.285   2.928  -0.537  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -2.306   3.176  -1.435  0.00  0.00    -0.243 NA
ATOM     12  C   LIG    1       -1.332   2.256  -1.569  0.00  0.00    +0.223 A 
ATOM     13  C   LIG    1       -4.077   1.145   1.193  0.00  0.00    +0.031 A 
ATOM     14  N   LIG    1       -1.211   1.078  -0.928  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -3.496  -0.059   1.530  0.00  0.00    +0.091 A 
ENDBRANCH   4   7
BRANCH   3  16
ATOM     16  O   LIG    1       -1.738  -3.369  -0.506  0.00  0.00    -0.384 OA
ATOM     17  H   LIG    1       -2.688  -3.238  -0.691  0.00  0.00    +0.210 HD
ENDBRANCH   3  16
BRANCH   2  18
ATOM     18  O   LIG    1        0.778  -3.581  -0.676  0.00  0.00    -0.384 OA
ATOM     19  H   LIG    1       -0.068  -4.079  -0.710  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   6  20
ATOM     20  C   LIG    1        2.212  -1.240   1.233  0.00  0.00    +0.069 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.575   0.119   0.672  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        1.837   1.268   1.000  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.183   2.520   0.478  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        1.205   3.874   0.920  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        3.288   2.639  -0.368  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        3.772   4.147  -1.058  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        4.046   1.508  -0.679  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        3.697   0.260  -0.157  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5