REMARK  Name = BDB056878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.385   5.532  -1.592  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        1.875   4.107  -1.542  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.082   3.180  -0.878  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.639   1.818  -0.765  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.564   0.846  -0.427  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.581  -0.570  -0.354  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.621  -1.045   0.010  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.401   0.048   0.157  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -0.719   1.204  -0.072  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.213   2.600  -0.006  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.001   3.552   0.062  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        2.936   3.800  -2.088  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.699  -1.473  -0.619  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.240  -2.317   0.393  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.336  -3.163   0.083  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.860  -3.985   1.107  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.295  -3.936   2.374  0.00  0.00    +0.131 A 
ATOM     18  N   LIG    1        2.258  -3.144   2.708  0.00  0.00    -0.261 NA
ATOM     19 CL   LIG    1        5.192  -5.061   0.859  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        3.851  -3.138  -1.235  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        3.311  -2.312  -2.219  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.759  -2.367   1.715  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        2.239  -1.483  -1.913  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1       -2.803  -0.117   0.516  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1       -2.979  -0.919   1.807  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -4.456  -1.008   2.180  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1       -5.325  -0.835   1.058  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -4.835  -1.481  -0.112  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1       -3.613  -0.736  -0.633  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2