REMARK  Name = BDB056079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.166  -0.448   0.357  0.00  0.00    +0.182 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.846   0.959   0.119  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -0.252   1.813   1.066  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.130   2.981   0.402  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.772   4.021   1.031  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.032   3.857   2.392  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.658   2.682   3.077  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1        1.841   5.110   3.254  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -0.202   2.846  -0.941  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        0.043   3.475  -1.689  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        0.008   1.636   2.408  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -0.742   1.572  -1.146  0.00  0.00    +0.328 A 
ATOM     13  O   LIG    1       -1.008   1.073  -2.227  0.00  0.00    -0.247 OA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     14  O   LIG    1        0.764  -1.754   1.018  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        0.129  -1.239   0.099  0.00  0.00    +0.237 C 
ATOM     16  N   LIG    1        0.557  -1.262  -1.216  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1        0.072  -0.651  -1.870  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.944  -1.522  -1.526  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.721  -0.228  -1.505  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.832   0.559  -2.660  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.498   1.785  -2.620  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.050   2.242  -1.425  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.935   1.475  -0.267  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.273   0.247  -0.306  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  15
BRANCH   1  25
ATOM     25  C   LIG    1       -2.363  -0.955  -0.464  0.00  0.00    +0.069 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.946  -2.231   0.100  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1       -2.453  -3.479  -0.305  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -2.978  -4.654   0.235  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.998  -4.593   1.183  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.494  -3.358   1.593  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.970  -2.181   1.056  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6