REMARK  Name = BDB056764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.187  -0.268   1.671  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.170  -0.085   0.722  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.929  -0.676   0.999  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.686  -1.395   2.164  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.603  -1.860   2.195  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.171  -1.429   1.083  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.709  -1.549   3.112  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.266  -0.722   0.319  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.521  -0.124  -0.970  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.958  -0.972   2.855  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.443   0.288   1.527  0.00  0.00    -0.456 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -5.326   2.731   0.407  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -5.486   1.417  -0.301  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1       -5.017   0.227   0.275  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1       -5.196  -1.000  -0.373  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -5.810  -1.042  -1.624  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.257   0.137  -2.218  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.100   1.359  -1.560  0.00  0.00    +0.007 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.588  -1.693   0.682  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.188  -0.436   0.369  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.485  -0.455  -0.064  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.996   0.798  -0.417  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.311   0.923  -0.881  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        7.118  -0.214  -0.989  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.612  -1.464  -0.633  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.298  -1.585  -0.172  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.888   2.233  -1.267  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        8.022   2.422  -1.665  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.014   3.248  -1.142  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        6.527   4.035  -1.419  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7