REMARK  Name = BDB039671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.251  -0.573  -0.321  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.620   0.738  -0.619  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.425   0.843  -1.548  0.00  0.00    +0.079 C 
ATOM      4  N   LIG    1       -0.073  -0.391  -2.183  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        0.141  -1.550  -1.306  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        1.762   1.388  -1.964  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        1.641  -1.748  -0.983  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.304  -0.650   0.759  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.664   0.547   0.731  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.353   0.512   0.371  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.618  -0.633   0.028  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.339  -1.834   0.090  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.689  -1.852   0.453  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.568   0.857   1.923  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.247   0.636   1.404  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.565   1.391   1.386  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.750  -0.626   1.155  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.406  -1.656   1.252  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.410  -0.310  -2.780  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.575  -0.186  -1.828  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -3.080   1.062  -1.441  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -4.154   1.115  -0.562  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.701  -0.088  -0.098  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1       -5.822  -0.004   0.820  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -6.551  -1.142   1.437  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -7.790  -0.448   2.022  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -7.446   1.044   2.151  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.309   1.180   1.208  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -5.747   2.456   0.729  0.00  0.00    +0.253 A 
ATOM     30  O   LIG    1       -6.195   3.539   1.086  0.00  0.00    -0.268 OA
ATOM     31  N   LIG    1       -4.249  -1.306  -0.456  0.00  0.00    -0.253 NA
ATOM     32  N   LIG    1       -4.687   2.349  -0.143  0.00  0.00    -0.321 N 
ATOM     33  H   LIG    1       -4.296   3.219  -0.476  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.201  -1.324  -1.313  0.00  0.00    +0.116 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4