REMARK  Name = BDB050041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.815   2.455  -0.124  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -2.026   1.091  -0.141  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1       -1.447   0.133  -1.061  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -2.427  -0.961  -1.454  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -2.603  -1.952  -0.415  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -2.550  -2.932  -0.670  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.164  -1.778   0.822  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -3.444  -0.427   1.364  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.307  -0.327   2.475  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.615   0.900   3.061  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.059   2.077   2.559  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.188   2.003   1.463  0.00  0.00    +0.090 A 
ATOM     13  O   LIG    1       -3.445  -2.777   1.481  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.894   0.771   0.881  0.00  0.00    +0.081 A 
ATOM     15  N   LIG    1       -2.526   3.020   0.830  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -0.899   3.214  -1.033  0.00  0.00    +0.079 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.457   3.503  -0.382  0.00  0.00    +0.043 C 
BRANCH  17  21
ATOM     18  C   LIG    1        2.941  -0.021  -0.038  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        2.867   0.675  -1.252  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.069   1.818  -1.361  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        1.336   2.280  -0.260  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        1.412   1.582   0.952  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.208   0.440   1.062  0.00  0.00    +0.015 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.774  -1.243   0.133  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        3.870  -1.850   1.187  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.380  -1.573  -1.035  0.00  0.00    -0.461 OA
BRANCH  26  28
ATOM     27  C   LIG    1        4.390  -3.985  -1.254  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        5.217  -2.739  -0.994  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6