REMARK  Name = BDB057223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315   1.835  -1.420  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.258   1.155  -0.629  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.421   0.610  -1.194  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.620   0.750  -2.575  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.688   1.417  -3.371  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.537   1.955  -2.797  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.414  -0.098  -0.397  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        4.502  -0.761  -0.964  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        5.150  -1.250   0.059  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        6.375  -2.039   0.283  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        6.605  -1.827   1.802  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        5.233  -1.448   2.392  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        4.538  -0.941   1.230  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1        3.438  -0.206   0.989  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.942   2.377  -0.794  0.00  0.00    +0.139 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.051   1.545   0.130  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1       -1.904   1.318  -0.598  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -1.882   0.548  -1.252  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.285   2.604   0.702  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -7.802   0.086   0.673  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.365  -0.257   0.413  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -5.391   0.750   0.380  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -4.043   0.433   0.164  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -3.661  -0.905   0.014  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.625  -1.914   0.061  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.969  -1.591   0.261  0.00  0.00    +0.003 A 
ENDBRANCH  16  23
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4