REMARK  Name = BDB017649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212  -1.479  -1.968  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.072  -1.185  -1.222  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.119  -0.495  -1.843  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.304  -0.237  -1.145  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.473  -0.644   0.188  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -4.747  -0.320   0.875  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -4.899  -0.634   2.224  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.022  -0.626   2.737  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.014  -0.095   2.994  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.278  -0.128   2.145  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.063   0.609   0.819  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.735   0.286   0.186  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.554   0.692  -1.234  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.442   1.256  -1.866  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.429  -1.358   0.793  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.343   0.425  -1.804  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -4.242   0.710  -2.768  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.243  -1.621   0.098  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  C   LIG    1        1.465   1.289  -2.498  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1        1.471   0.523  -1.163  0.00  0.00    +0.071 C 
ATOM     21  N   LIG    1        1.404  -0.942  -1.309  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        2.643  -1.506  -1.873  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        3.949  -0.726  -1.570  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        3.837   0.036  -0.319  0.00  0.00    -0.325 N 
ATOM     25  C   LIG    1        2.680   0.962  -0.268  0.00  0.00    +0.123 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.963   0.288   0.468  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.152   1.463   1.232  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1        4.244   2.452   1.218  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        6.282   1.681   2.026  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        7.275   0.711   2.104  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        7.119  -0.475   1.391  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        5.980  -0.679   0.597  0.00  0.00    +0.027 A 
BRANCH  30  33
ATOM     33  C   LIG    1        8.435   0.923   2.917  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1        9.377   1.095   3.573  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH   1  21
TORSDOF 4