REMARK  Name = BDB047324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.241  -1.978  -1.962  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.371  -1.603  -1.184  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -4.316  -0.212  -0.707  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.309   0.163   0.181  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -3.244   1.490   0.623  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -4.187   2.423   0.179  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.195   2.039  -0.704  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.352  -0.891   0.601  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -2.405  -2.113   0.161  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -5.261   0.721  -1.151  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -3.394  -2.444  -0.711  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -3.415  -3.408  -1.028  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.230  -0.563   1.575  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.002  -0.046   0.826  0.00  0.00    +0.007 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.139   0.276   1.794  0.00  0.00    +0.016 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.390   0.869   1.124  0.00  0.00    +0.084 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.399  -0.121   0.722  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        4.681   0.520   0.348  0.00  0.00    +0.112 C 
ATOM     19  C   LIG    1        4.893   0.625  -1.171  0.00  0.00    +0.175 C 
ATOM     20  O   LIG    1        4.888  -0.647  -1.831  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1        4.112  -1.635  -1.137  0.00  0.00    +0.175 C 
ATOM     22  C   LIG    1        2.940  -1.022  -0.355  0.00  0.00    +0.112 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 5