REMARK  Name = BDB019760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.478  -2.377   0.752  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -0.757  -1.020   0.971  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.309  -0.101   0.906  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.625  -0.538   0.692  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.886  -1.903   0.548  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        0.836  -2.820   0.575  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.768   0.413   0.644  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.491   1.672   0.155  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.614   1.829  -0.321  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.884   0.052   1.000  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.542   2.640  -0.063  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.038   2.580  -1.486  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        5.037   1.663  -1.847  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.487   1.576  -3.169  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        6.721   0.421  -3.527  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        4.931   2.407  -4.146  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        5.431   2.358  -5.799  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        3.930   3.318  -3.796  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.483   3.403  -2.475  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1       -1.503  -3.285   0.792  0.00  0.00    -0.489 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -3.115  -3.512  -0.964  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -1.730  -3.925  -0.475  0.00  0.00    +0.167 C 
ATOM     23  C   LIG    1       -1.667  -5.434  -0.265  0.00  0.00    +0.051 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -2.174  -0.537   1.203  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.197   0.506   2.219  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1       -1.764   0.200   3.082  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.338   1.195   2.444  0.00  0.00    +0.176 C 
ATOM     28  N   LIG    1       -3.277   2.012   3.529  0.00  0.00    -0.316 N 
ATOM     29  H   LIG    1       -2.386   2.483   3.621  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       -4.425   2.892   3.449  0.00  0.00    +0.127 C 
ATOM     31  C   LIG    1       -5.320   2.134   2.463  0.00  0.00    +0.163 C 
ATOM     32  N   LIG    1       -4.426   1.193   1.733  0.00  0.00    -0.255 NA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8