REMARK  Name = BDB003348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.984  -0.888   1.227  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.277  -0.304   0.919  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.164   0.120   1.925  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.410   0.674   1.583  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.818   0.782   0.246  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.958   0.344  -0.773  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.793   0.035   3.382  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.372  -0.914   3.606  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.710  -0.205  -0.417  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.464  -0.609   2.592  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.501   0.257  -1.143  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.433   0.284  -0.282  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1        2.091  -0.867   0.340  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1        2.819  -2.027   0.117  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        2.569  -3.409   0.636  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        3.913  -4.089   0.336  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        4.493  -3.391  -0.902  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        3.905  -2.023  -0.763  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        4.268  -0.866  -1.418  0.00  0.00    +0.037 A 
BRANCH  11  23
ATOM     20  C   LIG    1        3.122   3.923  -1.976  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        2.933   2.573  -1.525  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.216   2.349  -0.836  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.822   1.559  -1.814  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        4.800   1.685  -2.541  0.00  0.00    -0.269 OA
ENDBRANCH  11  23
ENDBRANCH   1  13
BRANCH   5  25
ATOM     25  C   LIG    1       -4.118   1.360  -0.025  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -5.156   0.705  -0.651  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -6.198   1.586  -0.679  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -7.508   1.364  -1.240  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -5.914   2.769  -0.102  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -4.652   2.623   0.310  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1       -2.328   0.431  -2.232  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1       -1.255   0.303  -3.068  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -3.195  -0.550  -2.612  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 4