REMARK  Name = BDB042602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.443   1.592  -3.145  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.155   0.914  -2.159  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.161   0.658  -1.800  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -0.568  -0.171  -0.661  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.015  -0.676  -0.770  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -2.980   0.405  -1.000  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -4.338   0.357  -0.703  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.085   1.292  -0.996  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.480   1.577  -1.733  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -1.238   1.275  -2.581  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.872  -0.870   0.051  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -4.612  -0.716   1.555  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -5.476   0.364   2.211  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -6.894   0.453   1.649  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -7.305  -0.813   0.917  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -6.364  -1.130  -0.247  0.00  0.00    +0.013 C 
ENDBRANCH   7  11
BRANCH   2  17
ATOM     17  C   LIG    1        2.232   0.309  -1.274  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.629   0.779  -1.684  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.694   0.229  -0.768  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1        4.989  -1.110  -0.883  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        4.513  -1.680  -1.573  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        5.930  -1.786  -0.133  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1        6.115  -2.985  -0.302  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        6.675  -0.980   0.864  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1        6.382   0.389   0.975  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1        7.076   1.169   1.908  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        8.053   0.590   2.722  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        8.338  -0.770   2.607  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.650  -1.550   1.680  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        7.956  -2.853   1.605  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.355   0.989   0.119  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4