REMARK  Name = BDB018493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.064  -1.083   0.302  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.376  -1.085  -0.115  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -2.018  -0.042   0.529  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1       -1.156   0.622   1.332  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.011  -0.011   1.202  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.244  -1.533  -0.650  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        0.958  -2.001  -0.108  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.765  -3.331  -0.005  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.722  -4.259  -0.380  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.421  -5.673  -0.213  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.958  -3.884  -0.890  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        3.847  -4.657  -1.231  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.183  -2.423  -1.020  0.00  0.00    +0.079 A 
BRANCH   6  17
ATOM     14  C   LIG    1        3.226   2.535  -1.175  0.00  0.00    +0.214 A 
ATOM     15  N   LIG    1        3.800   1.864  -0.154  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        3.471   0.558  -0.025  0.00  0.00    +0.123 A 
ATOM     17  C   LIG    1        2.586  -0.114  -0.866  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.014   0.613  -1.913  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.339   1.958  -2.071  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.404   4.401  -0.400  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        3.509   3.871  -1.373  0.00  0.00    -0.480 OA
ENDBRANCH  14  21
ENDBRANCH   6  17
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  C   LIG    1       -3.377   0.370   0.390  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.014   1.272   1.271  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.382   1.568   1.078  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.108   1.011   0.027  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.480   0.139  -0.848  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.133  -0.183  -0.669  0.00  0.00    +0.028 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.445   1.955   2.471  0.00  0.00    +0.259 C 
ATOM     29  N   LIG    1       -2.296   2.749   2.235  0.00  0.00    -0.219 N 
ATOM     30  H   LIG    1       -1.625   2.317   1.585  0.00  0.00    +0.167 HD
ATOM     31  O   LIG    1       -4.056   1.917   3.530  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -1.830   3.320   3.346  0.00  0.00    +0.173 C 
ATOM     33  N   LIG    1       -1.367   3.838   4.273  0.00  0.00    -0.174 NA
ENDBRANCH  29  32
ENDBRANCH  23  28
ENDBRANCH   3  22
TORSDOF 6