REMARK  Name = BDB003316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.266  -1.368  -0.607  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1        0.932  -0.648  -0.380  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.952  -0.569  -1.340  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.155   0.098  -1.046  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.368   0.743   0.186  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.330   0.717   1.136  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.783  -1.197  -2.696  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.308  -1.348  -3.025  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.147   0.004   0.847  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.381  -2.089  -1.888  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.045   0.630   0.519  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -1.839   0.282   0.024  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -1.525  -1.033  -0.043  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1       -2.411  -2.045   0.429  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.675  -1.637   0.918  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1       -4.594  -2.592   1.385  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -4.274  -3.949   1.394  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.027  -4.367   0.949  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.107  -3.428   0.480  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -3.993  -0.280   0.955  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -4.896   3.892   0.038  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -4.576   2.491   0.142  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -5.098   1.845  -0.436  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -3.325   2.097   0.594  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1       -2.486   2.879   1.027  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1        4.655   1.404   0.419  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        5.050   2.541  -0.266  0.00  0.00    +0.122 A 
ATOM     28  N   LIG    1        6.244   3.155  -0.108  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        7.064   2.595   0.793  0.00  0.00    +0.221 A 
ATOM     30  N   LIG    1        6.809   1.497   1.520  0.00  0.00    -0.243 NA
ATOM     31  C   LIG    1        5.600   0.931   1.315  0.00  0.00    +0.122 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.437   1.404   2.476  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        3.189   0.685   3.357  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.012   2.637   2.410  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4