REMARK  Name = BDB007859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.283  -1.445  -0.685  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -2.842  -0.001  -0.599  0.00  0.00    +0.268 C 
ATOM      3  O   LIG    1       -4.032   0.231  -0.823  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1       -1.932   0.939  -0.102  0.00  0.00    -0.232 N 
ATOM      5  C   LIG    1       -0.537   0.630  -0.066  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1       -0.084  -0.616  -0.499  0.00  0.00    +0.240 A 
ATOM      7  N   LIG    1        1.216  -0.992  -0.535  0.00  0.00    -0.196 NA
ATOM      8  C   LIG    1        2.146  -0.101  -0.146  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1        1.810   1.176   0.260  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.462   1.544   0.284  0.00  0.00    +0.032 A 
ATOM     11  O   LIG    1       -0.905  -1.583  -0.995  0.00  0.00    -0.459 OA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.400   2.214   0.337  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -3.247   2.981  -0.477  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.734   4.216  -0.038  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.393   4.686   1.226  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.992   6.204   1.768  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.575   3.928   2.060  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -2.087   2.693   1.620  0.00  0.00    +0.025 A 
ENDBRANCH   4  12
BRANCH   8  19
ATOM     19  N   LIG    1        3.446  -0.595  -0.216  0.00  0.00    -0.269 N 
ATOM     20  H   LIG    1        3.477  -1.539  -0.577  0.00  0.00    +0.156 HD
ATOM     21  C   LIG    1        4.620   0.041   0.119  0.00  0.00    +0.235 C 
ATOM     22  O   LIG    1        4.716   1.176   0.586  0.00  0.00    -0.274 OA
BRANCH  21  23
ATOM     23  C   LIG    1        5.866  -0.849  -0.089  0.00  0.00    +0.135 C 
ATOM     24  C   LIG    1        6.127  -1.656   1.178  0.00  0.00    +0.033 C 
BRANCH  23  25
ATOM     25  N   LIG    1        7.024  -0.009  -0.436  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1        7.891  -0.484  -0.195  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        6.987   0.834   0.146  0.00  0.00    +0.119 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  19
BRANCH   1  29
ATOM     28  C   LIG    1       -2.828  -1.662  -3.192  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -3.053  -2.220  -1.787  0.00  0.00    +0.054 C 
ENDBRANCH   1  29
BRANCH   1  30
ATOM     30  C   LIG    1       -2.550  -2.092   0.707  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1       -2.039  -3.519   0.869  0.00  0.00    +0.008 C 
ENDBRANCH   1  30
TORSDOF 6