REMARK  Name = BDB004563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.691   2.149  -1.271  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.371   1.656  -1.196  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.866   1.335   0.080  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.451   0.826   0.131  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.209   0.703  -0.968  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.646   1.041  -2.126  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.667   1.537   1.233  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.962   2.027   1.137  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -0.600   1.496  -2.295  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.474   2.328  -0.114  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.667   2.351  -3.723  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.101   2.618  -4.594  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -1.710   2.010  -3.716  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.357   2.520  -2.560  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.500   2.966  -2.587  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        1.008   0.475   1.378  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.365  -0.143   1.865  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.363  -0.066   1.382  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.343  -1.573   1.274  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        2.109  -2.368   2.406  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1        2.070  -3.756   2.289  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1        1.847  -4.499   3.382  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        2.254  -4.381   1.065  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1        2.479  -3.595  -0.056  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        2.655  -4.181  -1.247  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        2.523  -2.205   0.035  0.00  0.00    +0.043 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4