REMARK  Name = BDB016964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.070  -0.088  -1.593  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.060   0.596  -2.792  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.919   0.480  -3.846  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        1.153   1.411  -2.831  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        1.870   1.310  -1.737  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.204   0.391  -0.942  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.248  -0.653  -0.833  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -0.955  -1.056  -1.205  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.650  -2.423  -1.208  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.621  -3.367  -0.860  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.904  -2.946  -0.515  0.00  0.00    +0.044 A 
ATOM     12 CL   LIG    1       -4.100  -4.112  -0.101  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -3.228  -1.593  -0.506  0.00  0.00    +0.066 A 
BRANCH   7  14
ATOM     14  O   LIG    1       -2.599   0.674  -0.852  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.524   2.752   0.318  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.432   1.244   0.453  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   6  17
ATOM     17  C   LIG    1        1.685   0.041   0.394  0.00  0.00    +0.092 A 
ATOM     18  N   LIG    1        1.015  -0.907   1.094  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        1.456  -1.215   2.332  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        2.561  -0.631   2.915  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.253   0.325   2.176  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        2.805   0.685   0.906  0.00  0.00    +0.045 A 
BRANCH  21  23
ATOM     23  C   LIG    1        4.436   0.963   2.793  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        4.514   1.180   3.990  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.429   1.231   1.921  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.306   0.880   1.019  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   6  17
TORSDOF 6