REMARK  Name = BDB016198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.650  -1.239  -0.589  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.741  -0.355  -0.330  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -2.439   0.950   0.110  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.506   1.217  -0.236  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.410   2.013  -0.102  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.507   1.871   0.929  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.567   0.941   0.438  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -5.261  -0.255  -0.124  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -6.110  -0.771  -0.322  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.761   1.221   0.584  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.694   3.356   0.077  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -4.043  -0.898  -0.425  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -4.210  -2.229  -0.871  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.128  -3.050  -1.177  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.843  -2.558  -1.029  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        0.588  -1.613   0.248  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.147  -2.406   0.697  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -0.242  -0.759  -0.456  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.047   0.330  -0.939  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        4.114  -0.331   0.259  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        2.746  -0.422  -0.030  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        1.967  -1.453   0.500  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.579  -2.404   1.325  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        3.941  -2.319   1.617  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.709  -1.283   1.085  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1        4.752   0.729  -0.329  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.624   2.127  -0.791  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        6.141   0.891  -0.053  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4