REMARK  Name = BDB021419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.707  -2.125   1.145  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        6.234  -0.376  -2.125  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        5.664   0.430  -1.136  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        4.395   0.147  -0.561  0.00  0.00    -0.034 A 
ATOM      5  C   LIG    1        3.963   1.146   0.483  0.00  0.00    +0.037 C 
ATOM      6  C   LIG    1        2.628   0.961   1.171  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        2.477  -0.447   1.708  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1        1.857  -1.305   0.713  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        2.352  -1.493  -0.573  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.697  -2.137  -1.397  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.697  -0.989  -1.008  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        4.293  -1.790  -2.014  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        5.542  -1.494  -2.566  0.00  0.00    +0.019 A 
BRANCH   2  15
ATOM     14  N   LIG    1        8.559   0.218  -3.111  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        7.518  -0.051  -2.675  0.00  0.00    +0.099 C 
ENDBRANCH   2  15
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1       -0.671  -1.749   0.541  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.844  -2.355  -0.743  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.011  -2.212  -1.243  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -0.905  -0.221   0.471  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.243   0.220   0.018  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.325  -0.300   0.872  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.684   0.323   0.621  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.816   1.518  -0.107  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.085   2.079  -0.305  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.216   1.472   0.238  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.089   0.297   0.976  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.599   2.151  -0.725  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.830  -0.274   1.168  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.303   1.687  -0.052  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6