REMARK  Name = BDB048859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.684  -0.535  -1.992  0.00  0.00    +0.055 C 
ATOM      2  C   LIG    1       -1.548  -1.498  -1.602  0.00  0.00    +0.013 C 
ATOM      3  C   LIG    1       -0.266  -1.227  -2.384  0.00  0.00    +0.019 C 
ATOM      4  C   LIG    1        0.270   0.211  -2.193  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1       -0.838   1.191  -1.744  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.170   0.853  -2.412  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -6.153  -2.707   0.350  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -5.435  -1.717   0.271  0.00  0.00    +0.259 A 
ATOM      9  C   LIG    1       -5.523  -0.600   1.225  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -4.653   0.476   1.034  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -4.713   1.549   1.925  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -5.627   1.543   2.984  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.490   0.460   3.162  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -3.721   0.519  -0.017  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1       -3.685  -0.477  -0.842  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -6.441  -0.619   2.280  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -4.494  -1.578  -0.717  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -4.438  -2.343  -1.374  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   4  19
ATOM     19  N   LIG    1        1.474   0.360  -1.354  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.685  -0.165  -2.003  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        3.955   0.280  -1.254  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        3.832   0.117   0.240  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        2.629  -0.110   0.798  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        1.348  -0.171   0.011  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.051   0.184   1.064  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.157  -0.630   0.786  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.312  -0.555   1.570  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.374   0.336   2.639  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.283   1.152   2.926  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.128   1.076   2.143  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3