REMARK  Name = BDB018819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.129   0.372  -0.704  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.887   0.073  -0.159  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.290   0.831  -0.336  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.356   0.247   0.356  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.631   0.807   0.321  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -2.820   1.974  -0.429  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.750   2.560  -1.120  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.904  -0.973   1.097  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.475   1.989  -1.075  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.536  -1.137   0.603  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        2.369   1.391  -1.355  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1        4.322  -0.666  -1.458  0.00  0.00    -0.255 N 
ATOM     13  C   LIG    1        3.263  -0.617  -0.391  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        3.990  -0.164   0.879  0.00  0.00    +0.071 C 
ATOM     15  C   LIG    1        5.444  -0.487   0.610  0.00  0.00    +0.186 C 
ATOM     16  F   LIG    1        6.246   0.299   1.361  0.00  0.00    -0.244 F 
ATOM     17  C   LIG    1        5.596  -0.188  -0.870  0.00  0.00    +0.154 C 
BRANCH  12  19
ATOM     18  N   LIG    1        3.878  -0.920  -3.900  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        4.080  -0.778  -2.770  0.00  0.00    +0.170 C 
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -3.735   0.218   1.043  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.862  -0.329   0.463  0.00  0.00    +0.146 A 
ATOM     22  N   LIG    1       -5.631  -0.781   1.496  0.00  0.00    -0.273 N 
ATOM     23  H   LIG    1       -6.535  -1.244   1.448  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.079  -0.582   2.705  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1       -3.928   0.035   2.429  0.00  0.00    +0.143 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.311  -0.497  -0.925  0.00  0.00    +0.434 C 
ATOM     27  F   LIG    1       -6.463  -1.217  -0.985  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -4.401  -1.154  -1.683  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -5.564   0.690  -1.526  0.00  0.00    -0.164 F 
ENDBRANCH  21  26
ENDBRANCH   5  20
TORSDOF 4