REMARK  Name = BDB009301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.395  -1.258   1.338  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -1.915   0.013   0.720  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1       -1.708   0.320  -0.623  0.00  0.00    -0.342 N 
ATOM      4  H   LIG    1       -1.632  -0.490  -1.231  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.419   1.436  -1.241  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -2.485   2.604  -0.262  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -3.104   2.169   1.072  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.578   0.841   1.542  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.839   0.456   2.947  0.00  0.00    +0.270 A 
ATOM     10  O   LIG    1       -3.459   1.187   3.713  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -2.372  -0.773   3.330  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.535  -1.050   4.292  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -1.631  -1.620   2.566  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.502  -2.177   0.515  0.00  0.00    +0.094 C 
BRANCH  14  20
ATOM     15  C   LIG    1        2.866  -0.654  -0.497  0.00  0.00    +0.094 A 
ATOM     16  C   LIG    1        3.621  -0.914   0.645  0.00  0.00    +0.137 A 
ATOM     17  F   LIG    1        4.908  -0.551   0.730  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.059  -1.578   1.734  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        1.727  -1.991   1.688  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.947  -1.746   0.549  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        1.524  -1.071  -0.540  0.00  0.00    +0.022 A 
BRANCH  15  22
ATOM     22  C   LIG    1        3.491   0.072  -1.629  0.00  0.00    +0.342 C 
ATOM     23  O   LIG    1        4.495   0.760  -1.550  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        3.323   0.491  -3.922  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        2.783  -0.156  -2.768  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  15  22
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 4