REMARK  Name = BDB047158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.521  -0.984  -0.994  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.646  -1.165   0.086  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.407  -2.093   0.026  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.550  -2.873  -1.127  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.317  -2.701  -2.205  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.345  -1.757  -2.140  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -3.656  -0.086  -2.895  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.500   0.336  -1.760  0.00  0.00    +0.220 C 
ATOM      9  N   LIG    1       -2.538  -0.021  -0.843  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -2.564   0.469   0.042  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.413   1.399  -1.252  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -5.907   1.171  -1.276  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -5.184   1.225   0.037  0.00  0.00    +0.013 C 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.339  -2.290   1.200  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.886  -0.987   1.769  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        2.975  -0.264   1.063  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        3.423   0.925   1.634  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        4.446   1.668   1.032  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        5.024   1.216  -0.153  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.580   0.028  -0.732  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.808   1.399   2.884  0.00  0.00    +0.272 A 
ATOM     22  O   LIG    1        3.169   2.438   3.424  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        1.811   0.610   3.404  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1        1.382   0.916   4.272  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1        3.559  -0.714  -0.128  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1        1.350  -0.554   2.873  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 4