REMARK  Name = BDB062233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.514  -1.363  -0.510  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.736  -2.298  -1.514  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.041  -3.445  -1.553  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.674  -2.047  -2.508  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.414  -0.861  -2.481  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.234   0.074  -1.448  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.266  -0.183  -0.465  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        4.886  -0.328  -0.237  0.00  0.00    +0.282 C 
ATOM      9  N   LIG    1        3.620  -0.857  -0.009  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1        2.949  -0.845   1.298  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        1.766  -1.819   1.370  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        0.811  -1.610   0.277  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.549  -1.628   0.567  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -1.006  -1.801   1.694  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.379  -1.234  -1.028  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.893  -1.467  -1.121  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        5.472  -0.386  -1.313  0.00  0.00    -0.267 OA
BRANCH   8  18
ATOM     18  C   LIG    1        5.605   0.347   0.934  0.00  0.00    +0.218 C 
ATOM     19  O   LIG    1        5.002   1.130   1.659  0.00  0.00    -0.287 OA
BRANCH  18  20
ATOM     20  C   LIG    1        7.059  -0.032   1.126  0.00  0.00    +0.090 C 
BRANCH  20  22
ATOM     21  C   LIG    1        9.492   0.526   1.035  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1        8.074   1.105   0.865  0.00  0.00    -0.031 C 
ATOM     23  C   LIG    1        7.939   1.653  -0.564  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        7.900   2.256   1.871  0.00  0.00    +0.011 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  C   LIG    1       -4.035   1.357  -1.406  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.538   1.149  -1.568  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -6.369   0.786  -0.377  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.739   0.589   0.974  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -6.676  -0.070   1.992  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -8.079   0.518   1.914  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -8.670   0.335   0.515  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -7.691   0.651  -0.582  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -8.255   0.824  -1.944  0.00  0.00    +0.268 A 
ATOM     34  O   LIG    1       -9.454   0.692  -2.170  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -7.358   1.134  -2.928  0.00  0.00    -0.243 N 
ATOM     36  H   LIG    1       -7.726   1.264  -3.865  0.00  0.00    +0.192 HD
ATOM     37  N   LIG    1       -6.019   1.308  -2.766  0.00  0.00    -0.175 NA
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6