REMARK  Name = BDB048495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.741   0.607  -0.239  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1        0.556   0.101  -0.728  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.352   1.036  -0.526  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.214   2.149   0.085  0.00  0.00    -0.303 N 
ATOM      5  C   LIG    1       -0.498   3.296   0.421  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -1.812   3.352   0.149  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -2.450   2.208  -0.488  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -1.756   1.093  -0.816  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        1.547   1.875   0.267  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.389  -1.633  -0.386  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        4.201  -2.157  -0.895  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.015  -1.417  -0.842  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        2.993  -0.136  -0.278  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        4.191   0.384   0.232  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.380  -0.358   0.178  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.708  -1.970   0.014  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        6.475  -2.456  -0.500  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  O   LIG    1       -2.235  -0.051  -1.406  0.00  0.00    -0.484 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.617  -0.154  -1.739  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.495  -0.465  -0.546  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1       -4.035  -1.289   0.495  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.858  -1.591   1.586  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1       -4.210  -2.599   2.830  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -6.159  -1.081   1.637  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1       -7.235  -1.408   2.949  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -6.630  -0.276   0.596  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.806   0.026  -0.491  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 5