REMARK  Name = BDB016369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.239   1.399  -0.467  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.597   0.956  -0.326  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.799  -0.346   0.178  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.997  -0.647   0.730  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.066  -0.690   0.803  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.100  -0.881  -0.284  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.746   0.424  -0.612  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.012   1.544  -0.826  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.613   2.306  -1.114  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.972   0.499  -0.744  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.876  -1.997   1.580  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.628   1.814  -0.783  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.300   3.102  -1.256  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.983   3.539  -1.342  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.040   2.687  -0.962  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.123  -1.065   0.618  0.00  0.00    -0.022 A 
ATOM     17  C   LIG    1        2.767   0.039   1.402  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        1.677   0.840   1.047  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        0.913   0.552  -0.095  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        1.270  -0.559  -0.872  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.357  -1.362  -0.517  0.00  0.00    +0.006 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.284  -1.945   1.013  0.00  0.00    +0.194 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.003  -1.217  -0.449  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        5.117  -2.273  -0.100  0.00  0.00    -0.378 OA
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 3