REMARK  Name = BDB005940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.629   1.881  -0.550  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1       -2.726   0.531  -0.244  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1       -3.826  -0.021  -0.164  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1       -1.526  -0.179  -0.087  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.250   0.495  -0.090  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.217   1.782  -0.606  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        0.999   2.386  -0.846  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        2.181   1.803  -0.572  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1        2.194   0.621   0.065  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        3.434   0.078   0.448  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1        3.484  -1.089   1.230  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        2.317  -1.706   1.641  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.092  -1.188   1.234  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.985  -0.058   0.385  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -1.447   2.521  -0.871  0.00  0.00    +0.266 A 
ATOM     16  O   LIG    1       -1.375   3.657  -1.331  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -1.591  -1.647  -0.274  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.251  -2.081  -1.609  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -3.387  -3.025  -1.231  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.966  -3.600   0.110  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -2.350  -2.408   0.828  0.00  0.00    +0.025 C 
ENDBRANCH   4  17
BRANCH  10  22
ATOM     22  C   LIG    1        4.740   0.775   0.063  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        5.391   1.428   1.285  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        5.722  -0.171  -0.638  0.00  0.00    +0.012 C 
ENDBRANCH  10  22
BRANCH   1  26
ATOM     25  C   LIG    1       -4.297   3.259   0.623  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -3.871   2.639  -0.700  0.00  0.00    +0.126 C 
ENDBRANCH   1  26
TORSDOF 3