REMARK  Name = BDB006056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.855   1.676  -1.460  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.039   0.951  -0.904  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.143   1.473   0.136  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.248   0.595   0.720  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.350   0.990   1.719  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.427   0.100   2.318  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.439  -1.141   1.901  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.309  -1.584   0.928  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.271  -2.550   0.631  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.377   2.325   2.125  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.278   3.230   1.545  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.229  -0.804   0.286  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.022  -1.266  -0.635  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -4.163   2.806   0.548  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.904  -0.389  -1.208  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.516  -0.765  -1.926  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.448  -2.141   2.506  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.889  -2.080   1.898  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1        0.943  -2.499   0.489  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        2.249  -2.082  -0.230  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        2.396  -0.617  -0.227  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        1.765   0.106   0.893  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.599  -0.807   2.132  0.00  0.00    +0.104 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.113   0.049  -1.206  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.934   1.421  -1.450  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        3.654   2.102  -2.441  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.579   1.415  -3.215  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        5.467   2.242  -4.432  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.785   0.058  -3.005  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        4.058  -0.611  -2.011  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3