REMARK  Name = BDB049385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.495  -1.239   1.996  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.292  -0.180   1.543  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.625  -0.406   1.176  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.202  -1.677   1.275  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.393  -2.725   1.754  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.061  -2.511   2.122  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.236  -1.425   3.522  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.902  -1.028   2.408  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.777  -0.402   1.528  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        2.531  -0.232   0.087  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        3.821  -0.240  -0.754  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        4.766   0.754  -0.253  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        4.845   0.983   1.192  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        4.141  -0.131   1.988  0.00  0.00    +0.127 C 
BRANCH  12  15
ATOM     15  C   LIG    1        5.863   1.062  -1.029  0.00  0.00    +0.218 A 
ATOM     16  N   LIG    1        5.947   0.545  -2.267  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1        7.018   0.874  -3.015  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1        8.018   1.704  -2.582  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        7.854   2.189  -1.312  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1        6.800   1.886  -0.529  0.00  0.00    -0.223 NA
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  N   LIG    1       -3.522  -1.980   0.901  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1       -3.830  -2.911   1.166  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.492  -1.202   0.296  0.00  0.00    +0.170 A 
ATOM     24  C   LIG    1       -5.811  -1.756   0.117  0.00  0.00    +0.220 A 
ATOM     25  N   LIG    1       -6.808  -1.048  -0.474  0.00  0.00    -0.188 N 
ATOM     26  N   LIG    1       -7.924  -1.792  -0.515  0.00  0.00    -0.038 NA
ATOM     27  N   LIG    1       -7.585  -2.948   0.053  0.00  0.00    -0.022 NA
ATOM     28  C   LIG    1       -6.626   0.245  -0.943  0.00  0.00    +0.095 A 
ATOM     29  C   LIG    1       -5.331   0.755  -0.756  0.00  0.00    +0.092 A 
ATOM     30  C   LIG    1       -5.072   2.049  -1.203  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.080   2.804  -1.815  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -7.361   2.269  -1.987  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -7.646   0.977  -1.549  0.00  0.00    +0.030 A 
ATOM     34  N   LIG    1       -6.263  -2.943   0.455  0.00  0.00    -0.105 NA
ATOM     35  N   LIG    1       -4.290   0.016  -0.141  0.00  0.00    -0.227 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 4