REMARK  Name = BDB047894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.189   0.232   0.618  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -0.880   0.026  -0.172  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1       -2.105   0.356   0.283  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.279   0.895   1.563  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -3.568   1.266   2.017  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.682   1.077   1.209  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.524   0.525  -0.058  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.102   1.035   2.298  0.00  0.00    +0.224 A 
ATOM      9  C   LIG    1       -3.248   0.171  -0.520  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1        0.122   0.731   1.858  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.085  -0.812  -0.939  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.936  -1.015  -1.703  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.674  -0.677  -1.200  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.519  -0.125   0.084  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.693   0.070   0.837  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.959  -0.267   0.336  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.450  -0.989  -0.806  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.252  -1.184  -1.546  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  O   LIG    1       -1.109   1.503   3.584  0.00  0.00    -0.492 OA
ATOM     20  H   LIG    1       -1.889   1.126   4.016  0.00  0.00    +0.294 HD
ENDBRANCH   8  19
BRANCH   9  21
ATOM     21  O   LIG    1       -3.014  -0.374  -1.765  0.00  0.00    -0.493 OA
ATOM     22  C   LIG    1       -4.119  -0.538  -2.640  0.00  0.00    +0.277 C 
ENDBRANCH   9  21
TORSDOF 4