REMARK  Name = BDB016398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.161   0.422   1.232  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.365  -0.082   0.632  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.419  -0.090  -0.768  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.767   0.575  -1.180  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.639  -0.210  -1.543  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.289  -1.552  -1.316  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.090  -1.613  -0.060  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.581  -1.204   1.125  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.226  -1.416   1.876  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.226  -2.101  -0.067  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.546   1.008  -1.391  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.361  -0.600   1.493  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.187  -0.519   2.891  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.034   0.011   3.459  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.023   0.468   2.632  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.920   0.503  -0.991  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        1.838   0.037  -0.226  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        0.971   0.926   0.428  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        1.203   2.303   0.301  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        2.269   2.779  -0.464  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.121   1.883  -1.109  0.00  0.00    +0.006 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.827  -0.471  -1.703  0.00  0.00    +0.194 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.319  -1.116   0.026  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        4.270  -1.523  -0.844  0.00  0.00    -0.378 OA
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3