REMARK  Name = BDB020967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.291   1.143   0.357  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -0.980   0.581   0.354  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.537  -0.174  -0.770  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -3.046   0.042  -0.901  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.747  -0.086   0.426  0.00  0.00    -0.041 C 
ATOM      6  C   LIG    1       -3.054   0.052   1.572  0.00  0.00    -0.004 C 
ATOM      7  C   LIG    1       -1.584   0.339   1.661  0.00  0.00    +0.135 C 
ATOM      8  O   LIG    1        0.843   1.510   1.397  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.201  -0.344   0.427  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -6.051   0.354  -0.447  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -7.426   0.101  -0.459  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -7.954  -0.855   0.399  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -9.271  -1.098   0.386  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.136  -1.563   1.268  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.762  -1.309   1.281  0.00  0.00    +0.011 A 
ENDBRANCH   5   9
BRANCH   1  16
ATOM     16  C   LIG    1        0.994   1.286  -0.984  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.317   2.044  -0.872  0.00  0.00    +0.083 C 
BRANCH  17  25
ATOM     18  C   LIG    1        6.506  -0.619  -2.766  0.00  0.00    +0.150 C 
ATOM     19  N   LIG    1        6.248  -0.751  -1.352  0.00  0.00    -0.335 N 
ATOM     20  C   LIG    1        5.220  -0.146  -0.680  0.00  0.00    +0.148 A 
ATOM     21  C   LIG    1        5.316  -0.509   0.646  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        4.335   0.006   1.569  0.00  0.00    +0.261 A 
ATOM     23  N   LIG    1        3.426   0.847   0.957  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        2.678   1.200   1.549  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        3.427   1.132  -0.399  0.00  0.00    +0.112 A 
ATOM     26  O   LIG    1        4.294  -0.274   2.761  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.431  -1.365   0.786  0.00  0.00    +0.034 A 
ATOM     28  N   LIG    1        4.291   0.660  -1.251  0.00  0.00    -0.216 NA
ATOM     29  C   LIG    1        6.993  -1.498  -0.469  0.00  0.00    +0.088 A 
ENDBRANCH  17  25
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4