REMARK  Name = BDB016458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.967  -0.009   1.070  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1       -3.348  -0.973   1.852  0.00  0.00    -0.146 NA
ATOM      3  N   LIG    1       -2.358  -1.785   2.243  0.00  0.00    -0.235 N 
ATOM      4  C   LIG    1       -1.054  -1.650   1.881  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1       -0.327  -2.661   2.477  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.243  -3.442   3.226  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.714  -0.562   1.020  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -2.490  -2.876   3.059  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -1.675   0.227   0.644  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.220   0.606   0.027  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.971   0.979   0.572  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.626   2.337   0.697  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.519   3.334   0.313  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.765   2.983  -0.194  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.112   1.637  -0.333  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.187  -1.111  -1.590  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.622  -0.849  -0.187  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.618  -1.300   0.883  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.575  -0.345   0.598  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        1.216  -1.121   0.704  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.883   0.551  -0.493  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.375   0.565  -0.719  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.948  -0.157  -1.773  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.334  -0.157  -1.962  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.185   0.557  -1.104  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.601   1.271  -0.045  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.216   1.273   0.148  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.643   0.556  -1.306  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.361   1.759  -1.405  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.745   1.759  -1.598  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.436   0.554  -1.693  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.744  -0.650  -1.597  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.360  -0.649  -1.405  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6