REMARK  Name = BDB053894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.566   2.194  -0.692  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.211   1.040  -0.430  0.00  0.00    +0.224 C 
ATOM      3  N   LIG    1        0.832  -0.066  -1.012  0.00  0.00    -0.292 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.907   0.793   0.587  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.312   1.115   0.018  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -3.296  -0.030   0.111  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -3.975  -0.150  -1.102  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.960  -1.106  -1.300  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.247  -1.969  -0.247  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1       -4.564  -1.866   0.968  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -4.851  -2.708   1.970  0.00  0.00    -0.202 F 
ATOM     12  F   LIG    1       -6.189  -2.908  -0.409  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -3.476   0.875  -2.049  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1       -3.582  -0.895   1.160  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -2.259   1.328  -1.424  0.00  0.00    -0.363 OA
ATOM     16  C   LIG    1       -2.894   2.389   0.656  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -2.892   2.332   2.184  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -1.690   1.743   2.775  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -1.893   0.827   3.170  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -0.584   1.663   1.822  0.00  0.00    +0.096 C 
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        0.479  -1.437  -0.724  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -0.794  -2.043  -1.257  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        0.522  -2.537  -1.758  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        2.009   0.168  -1.869  0.00  0.00    +0.164 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.287  -0.469  -1.345  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.039   0.098  -0.285  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.177  -0.620   0.150  0.00  0.00    -0.015 A 
ATOM     28  C   LIG    1        5.964  -0.124   1.204  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        5.644   1.077   1.833  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.538   1.802   1.412  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.518  -1.822  -0.474  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        4.728  -2.282  -1.509  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        3.747   1.321   0.365  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1        3.632  -1.641  -1.953  0.00  0.00    -0.258 NA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 4