REMARK  Name = BDB007044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.150   0.183   0.783  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.373  -0.722   0.080  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        0.899  -0.465  -0.458  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.404  -1.586  -1.104  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        2.606  -1.655  -1.708  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1        3.338  -0.517  -1.658  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        2.921   0.669  -1.042  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        0.451  -2.757  -0.999  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        0.101  -3.322  -2.376  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        1.041  -3.847  -0.099  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        1.664   0.685  -0.421  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -0.775  -2.082  -0.332  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.808   1.342   1.038  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.513  -0.317   1.289  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -5.038   2.902  -0.660  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -4.681   1.712   0.229  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -5.927   1.091   0.713  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -6.433   1.749   1.303  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -5.638  -0.134   1.468  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -4.733  -1.121   0.695  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -3.470  -0.544   0.185  0.00  0.00    -0.291 NA
ATOM     22  C   LIG    1       -3.792   0.703  -0.550  0.00  0.00    +0.103 C 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  23
ATOM     23  C   LIG    1        3.811   1.885  -1.026  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.885   1.830   0.037  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        4.569   2.103   1.378  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.556   2.041   2.363  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.856   1.703   2.009  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        7.803   1.643   2.954  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.189   1.426   0.689  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        6.204   1.488  -0.299  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 4