REMARK  Name = BDB019164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745   0.750   1.086  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.596   2.094   0.360  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.484   1.756  -0.656  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.411   0.871   0.177  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.515   0.039   0.952  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.382   0.023  -0.683  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.545  -0.585   0.108  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.855  -0.556  -0.416  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -5.919  -1.120   0.304  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -5.682  -1.748   1.524  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -4.392  -1.818   2.036  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -6.990  -2.447   2.395  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -5.128   0.126  -1.731  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1       -3.850   0.223  -2.549  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1       -3.330  -1.246   1.329  0.00  0.00    +0.008 A 
ATOM     16  O   LIG    1       -2.848   0.866  -1.763  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  21
ATOM     17  C   LIG    1        5.313  -0.611   0.163  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        3.913  -0.741   0.097  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        2.992  -1.664  -0.476  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        1.717  -1.225  -0.185  0.00  0.00    +0.091 A 
ATOM     21  N   LIG    1        1.826  -0.069   0.549  0.00  0.00    -0.303 N 
ATOM     22  C   LIG    1        3.155   0.234   0.730  0.00  0.00    +0.148 A 
ATOM     23  N   LIG    1        3.620   1.302   1.401  0.00  0.00    -0.218 NA
ATOM     24  C   LIG    1        4.964   1.322   1.413  0.00  0.00    +0.225 A 
ATOM     25  N   LIG    1        5.815   0.450   0.842  0.00  0.00    -0.220 NA
BRANCH  17  27
ATOM     26  C   LIG    1        7.509  -1.063  -0.710  0.00  0.00    +0.127 C 
ATOM     27  N   LIG    1        6.168  -1.538  -0.435  0.00  0.00    -0.332 N 
ATOM     28  H   LIG    1        5.720  -2.023  -1.204  0.00  0.00    +0.147 HD
ENDBRANCH  17  27
ENDBRANCH   1  21
BRANCH   2  29
ATOM     29  O   LIG    1        0.138   3.097   1.283  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        0.929   3.477   1.705  0.00  0.00    +0.210 HD
ENDBRANCH   2  29
BRANCH   3  31
ATOM     31  O   LIG    1       -1.103   2.901  -1.223  0.00  0.00    -0.386 OA
ATOM     32  H   LIG    1       -1.921   2.578  -1.655  0.00  0.00    +0.210 HD
ENDBRANCH   3  31
TORSDOF 5