REMARK  Name = BDB012331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.077  -1.839   0.194  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.205  -1.513  -0.280  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.036  -2.531   0.149  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.213  -3.425   0.839  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.054  -3.032   0.864  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.645   0.753  -0.630  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.401   0.114  -0.553  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.325  -1.124   0.074  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -3.436  -1.710   0.611  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -4.620  -1.073   0.521  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.777   0.152  -0.086  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -4.855   2.682  -1.401  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -3.808   2.075  -1.279  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -2.650   2.577  -1.742  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -2.910   3.436  -2.138  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.439  -0.403  -0.993  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.778  -0.165  -1.439  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.641   0.458  -0.365  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1        3.978   0.064  -0.219  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.780   0.654   0.757  0.00  0.00    +0.142 A 
ATOM     21  F   LIG    1        6.053   0.247   0.872  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        4.271   1.646   1.592  0.00  0.00    +0.076 A 
ATOM     23 CL   LIG    1        5.260   2.376   2.796  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        2.947   2.057   1.448  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.138   1.469   0.471  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6