REMARK  Name = BDB000956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.777  -1.238   0.756  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -2.117  -0.140   0.006  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -1.492   0.511  -0.454  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.487  -0.062  -0.055  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.923  -1.158   0.672  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -5.299  -1.391   0.800  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -6.191  -0.507   0.179  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -5.724   0.595  -0.548  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.348   0.854  -0.675  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -2.859  -1.869   1.171  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.268  -0.503   0.336  0.00  0.00    -0.330 N 
ATOM     12  C   LIG    1        1.908  -1.877  -0.030  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1        0.401  -1.988  -0.233  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1       -0.359  -1.634   1.050  0.00  0.00    +0.058 C 
ATOM     15  C   LIG    1        0.368  -0.584   1.902  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        1.292   0.305   1.073  0.00  0.00    +0.106 C 
BRANCH  11  20
ATOM     17  C   LIG    1        6.064   1.085  -0.672  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        5.879  -0.292  -0.577  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.620  -0.811  -0.243  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        3.513   0.017   0.006  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.732   1.401  -0.098  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        4.985   1.934  -0.433  0.00  0.00    +0.020 A 
BRANCH  17  24
ATOM     23  N   LIG    1        8.388   2.059  -1.290  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        7.348   1.623  -1.014  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   9  25
ATOM     25  C   LIG    1       -3.768   2.002  -1.416  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -2.557   2.090  -1.596  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -4.610   2.977  -1.868  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -5.576   3.060  -1.590  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -4.177   3.786  -2.295  0.00  0.00    +0.145 HD
ENDBRANCH   9  25
TORSDOF 4