REMARK  Name = BDB003354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.954   1.567  -0.633  0.00  0.00    -0.277 N 
ATOM      2  C   LIG    1       -0.309   1.004  -0.325  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.491   1.504  -0.904  0.00  0.00    +0.142 A 
ATOM      4  C   LIG    1       -2.746   0.998  -0.556  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -2.866  -0.049   0.366  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -1.706  -0.592   0.942  0.00  0.00    +0.027 A 
ATOM      7  O   LIG    1       -1.513   2.526  -1.826  0.00  0.00    -0.489 OA
ATOM      8  C   LIG    1       -0.236   2.714  -2.439  0.00  0.00    +0.248 C 
ATOM      9  C   LIG    1       -0.450  -0.042   0.601  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.877   2.816  -1.401  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.585  -0.846  -0.174  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.373  -0.300  -0.427  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1        2.241   1.054  -0.345  0.00  0.00    +0.153 A 
ATOM     14  C   LIG    1        3.326   1.908   0.007  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.566   1.278   0.260  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        5.671   2.063   0.619  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        5.541   3.439   0.732  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.304   3.988   0.480  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.221   3.263   0.124  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        4.699  -0.107   0.166  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.316  -4.377  -0.579  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.481  -2.950  -0.607  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.667  -2.341  -0.658  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.668  -2.338  -0.265  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.714  -2.933  -0.035  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -4.190  -0.535   0.696  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.082  -1.044  -0.225  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.198  -1.387   0.481  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.415  -1.960  -0.041  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.093  -1.147   1.800  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.875  -0.612   1.928  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.756  -1.729   1.932  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -0.556  -2.363   2.080  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -2.103  -1.312   3.182  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4