REMARK  Name = BDB058556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.996   0.752   0.122  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.723   0.899   1.088  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.361   0.735  -0.091  0.00  0.00    +0.199 A 
ATOM      4  N   LIG    1        3.157   1.548   0.740  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        2.555   2.428   1.727  0.00  0.00    +0.155 C 
ATOM      6  C   LIG    1        4.552   1.570   0.646  0.00  0.00    +0.279 A 
ATOM      7  O   LIG    1        5.298   2.230   1.363  0.00  0.00    -0.265 OA
ATOM      8  C   LIG    1        5.033   0.727  -0.391  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        4.215  -0.016  -1.182  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1        4.993  -0.731  -2.104  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        6.308  -0.392  -1.842  0.00  0.00    +0.085 A 
ATOM     12  N   LIG    1        6.321   0.500  -0.792  0.00  0.00    -0.355 N 
ATOM     13  H   LIG    1        7.140   0.928  -0.377  0.00  0.00    +0.166 HD
ATOM     14  N   LIG    1        2.837  -0.031  -1.043  0.00  0.00    -0.214 NA
ENDBRANCH   1   3
BRANCH   1  20
ATOM     15  C   LIG    1       -0.447  -2.521   2.445  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1       -0.665  -1.404   1.529  0.00  0.00    -0.303 NA
ATOM     17  C   LIG    1       -2.102  -1.238   1.226  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.390  -0.636  -0.174  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -1.316   0.391  -0.560  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        0.100  -0.226  -0.508  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        0.133  -1.550   0.300  0.00  0.00    +0.106 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.800  -0.080  -0.272  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.742  -0.707  -1.102  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.045  -0.215  -1.202  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.425   0.910  -0.474  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.503   1.542   0.356  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.199   1.051   0.457  0.00  0.00    +0.004 A 
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 3