REMARK  Name = BDB057323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.830   0.152   0.183  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.182  -0.756   0.467  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.923   0.738   1.395  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -6.791   1.256   0.432  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -6.330   1.603  -0.838  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -4.999   1.437  -1.191  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -4.111   0.898  -0.250  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.780   0.748  -0.693  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -2.392   1.124  -1.925  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -3.332   1.633  -2.725  0.00  0.00    +0.223 A 
ATOM     11  N   LIG    1       -4.622   1.799  -2.419  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -4.584   0.560   1.048  0.00  0.00    +0.062 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -5.583   0.070   3.660  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.469   0.438   2.612  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -8.112   1.431   0.749  0.00  0.00    -0.503 OA
ATOM     16  H   LIG    1       -8.579   1.815  -0.010  0.00  0.00    +0.292 HD
ENDBRANCH   4  15
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.422   0.153   0.069  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        0.314  -0.873   0.683  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.714  -0.882   0.651  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.402   0.156   0.015  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.685   1.213  -0.550  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        0.286   1.210  -0.516  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.891   0.190  -0.038  0.00  0.00    +0.248 C 
ATOM     24  N   LIG    1        4.487  -1.041  -0.241  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        3.873  -1.819  -0.446  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        4.450   1.274   0.067  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.867  -1.326  -0.293  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        6.868  -0.385  -0.047  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        8.217  -0.750  -0.112  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        8.576  -2.060  -0.420  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.586  -3.008  -0.664  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.239  -2.642  -0.599  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 6