REMARK  Name = BDB027863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.065  -1.811  -0.396  0.00  0.00    -0.328 N 
ATOM      2  H   LIG    1       -0.723  -2.262   0.445  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.429  -1.497  -0.259  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -3.323  -2.487   0.184  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -4.653  -2.083   0.304  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1       -5.544  -3.046   0.755  0.00  0.00    +0.139 A 
ATOM      7  N   LIG    1       -5.240  -4.331   1.077  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -3.954  -4.692   0.933  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1       -5.072  -0.846   0.005  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1       -4.152   0.020  -0.446  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1       -2.972  -3.822   0.497  0.00  0.00    +0.033 A 
ATOM     12  N   LIG    1       -2.848  -0.266  -0.591  0.00  0.00    -0.212 NA
BRANCH  10  13
ATOM     13  C   LIG    1       -4.599   1.381  -0.797  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.932   1.784  -0.623  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.305   3.075  -0.965  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.455   3.992  -1.467  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -4.177   3.601  -1.635  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -3.712   2.333  -1.321  0.00  0.00    +0.031 A 
ENDBRANCH  10  13
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1       -0.162  -0.776  -0.905  0.00  0.00    +0.110 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -0.313   0.671   1.208  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1        0.628  -0.002   0.192  0.00  0.00    -0.004 C 
ATOM     22  C   LIG    1        1.573  -0.962   0.944  0.00  0.00    +0.014 C 
BRANCH  21  23
ATOM     23  C   LIG    1        1.448   1.089  -0.556  0.00  0.00    +0.115 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.263   1.925   0.304  0.00  0.00    -0.281 N 
ATOM     25  H   LIG    1        1.835   2.693   0.804  0.00  0.00    +0.152 HD
ATOM     26  C   LIG    1        3.596   1.783   0.557  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1        4.179   2.541   1.318  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1        4.145   0.740  -0.107  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.548   0.411   0.055  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1        5.862   0.015   1.502  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.448   1.548  -0.439  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        5.764  -0.814  -0.846  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8