REMARK  Name = BDB056075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.019  -0.209   0.119  0.00  0.00    +0.182 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.903  -1.335   0.395  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -2.951  -2.517  -0.366  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.748  -3.434   0.323  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -4.002  -4.702  -0.146  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.415  -5.042  -1.365  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.602  -4.130  -2.071  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1       -3.684  -6.611  -2.025  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -4.167  -2.841   1.505  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -4.708  -3.261   2.244  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -2.359  -2.845  -1.568  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -3.618  -1.553   1.594  0.00  0.00    +0.328 A 
ATOM     13  O   LIG    1       -3.767  -0.791   2.534  0.00  0.00    -0.247 OA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     14  O   LIG    1       -0.385  -1.311   1.579  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -0.604  -0.527   0.658  0.00  0.00    +0.236 C 
ATOM     16  N   LIG    1        0.417   0.149   0.008  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        0.164   0.976  -0.522  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.777   0.090   0.516  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.782   0.608  -0.511  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.191   0.603   0.024  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        4.973  -0.557  -0.049  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.271  -0.568   0.464  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.797   0.578   1.057  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.025   1.735   1.140  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.727   1.748   0.628  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  15
BRANCH   1  26
ATOM     26  C   LIG    1       -2.539   1.128   0.686  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.906   2.346   0.050  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -2.208   2.699  -1.273  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -1.589   3.799  -1.869  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.668   4.557  -1.149  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.370   4.223   0.170  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.988   3.125   0.769  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7