REMARK  Name = BDB049545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.621  -0.193   3.396  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1        0.679   0.601   2.865  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.499   0.888   1.426  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1       -0.781   0.775   0.931  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -1.925   0.230   1.677  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -3.088  -0.228   0.774  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1       -3.506   0.852  -0.133  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1       -2.438   1.700  -0.701  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1       -1.034   1.112  -0.471  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        1.470   1.230   0.753  0.00  0.00    -0.271 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.744   0.800  -0.776  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -5.561  -0.349  -0.825  0.00  0.00    +0.144 A 
ATOM     13  F   LIG    1       -5.156  -1.504  -0.271  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1       -6.802  -0.362  -1.466  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -7.279   0.788  -2.083  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -6.510   1.946  -2.050  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.266   1.948  -1.405  0.00  0.00    +0.026 A 
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  20
ATOM     18  N   LIG    1        3.151  -0.619   1.554  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.751   0.239   1.175  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.671  -1.045   2.763  0.00  0.00    +0.241 C 
ATOM     21  O   LIG    1        3.042  -2.026   3.398  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1        5.388  -1.145  -1.340  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        4.428  -0.604  -0.474  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        4.129  -1.233   0.744  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        4.795  -2.413   1.079  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        5.742  -2.965   0.211  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.036  -2.336  -0.998  0.00  0.00    +0.013 A 
BRANCH  22  31
ATOM     28  N   LIG    1        5.478   0.834  -2.768  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        5.842   1.268  -3.607  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        5.321   1.432  -1.970  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1        5.731  -0.504  -2.637  0.00  0.00    +0.242 C 
ATOM     32  O   LIG    1        6.254  -1.132  -3.549  0.00  0.00    -0.270 OA
ENDBRANCH  22  31
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 5