REMARK  Name = BDB048383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.554  -3.732   2.837  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.095  -3.410   2.643  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.764  -2.522   1.627  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.321  -2.307   1.408  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.086  -1.097   0.578  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.886  -0.428   0.223  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.152   0.621  -0.562  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.491   0.648  -0.692  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.091  -0.388  -0.045  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.533  -0.718   0.040  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.679  -2.180   0.515  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.247  -3.920   3.376  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.117   1.696  -1.457  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.787   1.664  -2.938  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.067   2.983  -3.440  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -3.139   3.882  -2.322  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.715   3.111  -1.090  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.327  -0.851   0.649  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.367  -1.652   1.273  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.632  -0.358   0.417  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.714  -1.014   1.027  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.471  -2.079   1.808  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.035  -0.602   0.855  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.321   0.502   0.048  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.254   1.170  -0.569  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.929   0.744  -0.387  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.685   0.963  -0.149  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.816   0.175  -0.062  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.877   0.992  -0.328  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        9.271   0.624  -0.359  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.523   2.263  -0.586  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.192   2.243  -0.479  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4