REMARK  Name = BDB016181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.566  -0.044  -1.313  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.818  -0.261  -0.650  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1        1.933   0.179   0.683  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.015   0.334   1.098  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.868  -0.486   1.573  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        4.259   0.020   1.262  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        4.874  -0.777   0.158  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.193  -1.075  -0.975  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        4.800  -1.548  -1.633  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        6.052  -1.142   0.237  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.489  -0.136   3.014  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        2.872  -0.824  -1.406  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.641  -1.201  -2.747  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.415  -0.989  -3.371  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.385  -0.398  -2.660  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  25
ATOM     16  C   LIG    1        0.355   3.008  -0.692  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -0.688   1.976  -0.416  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1       -2.000   2.228   0.062  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -2.671   1.004   0.120  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -4.045   0.969   0.442  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.708   2.158   0.763  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.035   3.369   0.759  0.00  0.00    +0.001 A 
ATOM     23  N   LIG    1       -1.737  -0.006  -0.168  0.00  0.00    -0.334 N 
ATOM     24  C   LIG    1       -2.687   3.415   0.404  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -0.576   0.608  -0.643  0.00  0.00    +0.055 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -1.999  -1.462   0.029  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -2.587  -1.728   1.441  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -0.749  -2.379  -0.018  0.00  0.00    +0.034 C 
ATOM     29  C   LIG    1       -2.962  -1.967  -1.063  0.00  0.00    +0.034 C 
ENDBRANCH  23  26
ENDBRANCH   1  25
TORSDOF 2