REMARK  Name = BDB005943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.184  -1.703   0.044  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.897  -1.466   0.568  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -2.457  -2.199   1.614  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -1.189  -2.049   2.037  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.335  -1.108   1.508  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.798  -0.227   0.546  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.074   0.867   0.244  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.475   0.729   0.420  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.221   1.679   0.167  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        1.911  -0.483   0.967  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.071  -1.069   1.905  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        1.367  -1.548   2.994  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -2.073  -0.478  -0.034  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.540   0.134  -1.220  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.806  -0.123  -1.736  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.638  -1.026  -1.093  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.307  -0.884   0.862  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1        4.165  -0.302  -0.096  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1        5.473  -0.741  -0.201  0.00  0.00    +0.168 A 
ATOM     20  O   LIG    1        6.400  -0.263  -1.075  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1        7.545  -1.068  -0.724  0.00  0.00    +0.466 C 
ATOM     22  O   LIG    1        7.269  -2.029   0.317  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        5.968  -1.747   0.584  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1        5.176  -2.377   1.509  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1        3.844  -1.950   1.633  0.00  0.00    +0.030 A 
ENDBRANCH  10  17
BRANCH   7  26
ATOM     26  C   LIG    1       -0.395   2.260   0.137  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1       -0.306   2.877  -1.269  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -1.537   3.773  -1.402  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -2.008   4.019   0.026  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -1.751   2.686   0.719  0.00  0.00    +0.025 C 
ENDBRANCH   7  26
BRANCH   1  32
ATOM     31  C   LIG    1       -6.248  -2.913   0.247  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.934  -2.647   0.714  0.00  0.00    -0.493 OA
ENDBRANCH   1  32
TORSDOF 3