REMARK  Name = BDB055752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.297   0.829  -0.541  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.076   1.508  -0.289  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.022   2.903  -0.301  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -1.189   3.630  -0.570  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.402   2.975  -0.823  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.451   1.580  -0.805  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.557  -2.423   0.376  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -1.882  -1.095   0.779  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.303  -0.583  -0.484  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -1.948  -1.280  -1.618  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -3.095  -2.081  -1.007  0.00  0.00    +0.039 C 
BRANCH   7  12
ATOM     12  N   LIG    1       -3.605  -2.906   1.271  0.00  0.00    -0.326 NA
ATOM     13  H   LIG    1       -4.333  -2.200   1.376  0.00  0.00    +0.119 HD
ATOM     14  H   LIG    1       -3.220  -3.057   2.203  0.00  0.00    +0.119 HD
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  N   LIG    1        1.038   0.676  -0.052  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.800  -0.311  -0.138  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.341   1.031   0.207  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1        2.765   2.176   0.326  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.291  -0.095   0.431  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.290  -1.302  -0.283  0.00  0.00    +0.053 A 
ATOM     21 CL   LIG    1        2.203  -1.643  -1.583  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.229  -2.296   0.024  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        5.176  -2.092   1.029  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.195  -0.891   1.730  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.261   0.103   1.431  0.00  0.00    +0.014 A 
ENDBRANCH  17  19
ENDBRANCH   2  15
BRANCH   4  26
ATOM     26  N   LIG    1       -1.147   5.098  -0.586  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1       -0.084   5.655  -0.281  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -2.186   5.697  -0.902  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 5