REMARK  Name = BDB058184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.209  -0.049   0.054  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        0.128  -0.861  -0.063  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.082  -0.286  -0.177  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.192   1.075  -0.178  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.381   1.976  -0.284  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -1.743   3.252   0.286  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -0.330   3.189  -0.125  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1        0.518   4.219   0.442  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1       -0.125   5.581   0.078  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -1.527   5.663   0.439  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -2.297   4.599  -0.174  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1       -0.035   1.824  -0.054  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        1.176   1.298   0.077  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        2.098  -2.537  -1.498  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        2.954  -1.835  -0.479  0.00  0.00    -0.035 A 
ATOM     16  C   LIG    1        2.526  -0.681   0.209  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.454  -0.121   1.092  0.00  0.00    +0.124 A 
ATOM     18  N   LIG    1        4.692  -0.612   1.360  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        5.052  -1.727   0.715  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1        4.229  -2.359  -0.204  0.00  0.00    +0.047 A 
BRANCH  19  21
ATOM     21  N   LIG    1        6.326  -2.218   0.984  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        6.721  -1.622   1.708  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        6.296  -3.189   1.270  0.00  0.00    +0.144 HD
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  N   LIG    1       -2.244  -1.069  -0.316  0.00  0.00    -0.308 N 
ATOM     25  C   LIG    1       -2.422  -2.157   0.695  0.00  0.00    +0.097 C 
ATOM     26  C   LIG    1       -1.919  -1.818   2.098  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -1.866  -3.499   0.178  0.00  0.00    +0.182 C 
ATOM     28  O   LIG    1       -2.515  -3.954  -1.025  0.00  0.00    -0.376 OA
ATOM     29  C   LIG    1       -3.087  -2.889  -1.800  0.00  0.00    +0.179 C 
ATOM     30  C   LIG    1       -2.279  -1.586  -1.713  0.00  0.00    +0.135 C 
ENDBRANCH   3  24
TORSDOF 3