REMARK  Name = BDB013375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.680  -0.338  -0.479  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.197   0.662  -0.946  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.558   0.646  -0.613  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.098  -0.349   0.208  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.544  -0.307   0.531  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.126  -1.355   1.453  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.543  -1.039   1.941  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.408  -0.508   0.808  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.801   0.764   0.218  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.315   0.665  -0.002  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.726   1.725  -0.875  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.408   2.628  -1.349  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.232  -1.343   0.676  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.386   1.650  -1.121  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -2.014   2.372  -1.723  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.132  -1.335   0.345  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.908  -1.626  -0.569  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.187  -0.285  -0.838  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.354   0.008  -2.289  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.478   0.257  -3.417  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.818   0.864   0.012  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.324   1.022  -0.056  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        4.925   1.746  -1.094  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.310   1.880  -1.139  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        6.873   2.576  -2.135  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.118   1.306  -0.166  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.533   0.588   0.874  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.143   0.449   0.931  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4