REMARK  Name = BDB048316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.968   3.657   0.219  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.463   3.679   0.152  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.794   2.489   0.407  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.320   2.575   0.423  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.710   1.223   0.338  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.357   0.817   0.184  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.270  -0.518   0.174  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.536  -0.963   0.283  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.432   0.052   0.422  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.902  -0.027   0.578  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.416   1.335   1.094  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.872   4.723  -0.129  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.653   1.715   0.063  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.402   2.694   0.026  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.053   1.544  -0.049  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.700   0.306   0.071  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        4.096   0.169  -0.066  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        4.849   1.321  -0.332  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.230   2.564  -0.456  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.846   2.671  -0.317  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.744  -1.151   0.058  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.267  -2.262  -0.658  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.881  -3.512  -0.546  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.984  -3.675   0.289  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.472  -2.589   1.010  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.857  -1.339   0.895  0.00  0.00    +0.008 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.792  -2.397   0.301  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.103  -3.031  -1.028  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -1.178  -2.868  -2.209  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.560  -2.273  -2.253  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5