REMARK  Name = BDB062124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.122  -3.122   0.206  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.746  -2.772  -0.051  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.172  -1.522   0.061  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.144  -1.732  -0.333  0.00  0.00    +0.098 A 
ATOM      5  N   LIG    1        0.352  -3.038  -0.711  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.796  -3.639  -0.511  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.184  -0.727  -0.430  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        1.712  -0.053   0.680  0.00  0.00    +0.050 A 
ATOM      9 CL   LIG    1        1.223  -0.396   2.305  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        2.706   0.919   0.506  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.193   1.229  -0.773  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1        2.685   0.533  -1.876  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.692  -0.435  -1.705  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1        4.286   2.251  -0.948  0.00  0.00    +0.113 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.603   1.638  -0.851  0.00  0.00    -0.326 NA
ATOM     16  H   LIG    1        5.686   1.173   0.053  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1        5.674   0.895  -1.546  0.00  0.00    +0.119 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   3  18
ATOM     18  C   LIG    1       -1.880  -0.310   0.461  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.023   0.750  -0.443  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -2.690   1.919  -0.065  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -3.217   2.039   1.225  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1       -3.074   0.985   2.133  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -2.407  -0.183   1.751  0.00  0.00    +0.011 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.899   3.238   1.615  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -4.456   4.207   1.929  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 5