REMARK  Name = BDB016951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.690  -2.216  -1.828  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.333  -1.904  -1.448  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.920  -0.837  -0.678  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.462  -0.984  -0.605  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.864  -2.107  -1.311  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.234  -2.631  -1.800  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.833   0.155  -0.124  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.152   1.305  -0.856  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.035   2.251  -0.330  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.597   2.046   0.929  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -4.685   3.212   1.578  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -3.284   0.906   1.667  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.401  -0.039   1.140  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.415  -0.122   0.095  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1        0.928   0.956   0.760  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        1.805   1.753   1.405  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        3.166   1.530   1.425  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.654   0.420   0.739  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        2.771  -0.421   0.062  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.114   0.177   0.757  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        5.939   0.867   1.325  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.471  -0.917   0.065  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        6.445  -0.957   0.160  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   4  14
TORSDOF 4