REMARK  Name = BDB058563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.215   1.065  -0.916  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -0.150   0.337  -1.050  0.00  0.00    +0.106 C 
ATOM      3  N   LIG    1       -0.931   0.531   0.186  0.00  0.00    -0.300 NA
ATOM      4  C   LIG    1       -1.341   1.948   0.324  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.389   2.961  -0.365  0.00  0.00    +0.035 C 
ATOM      6  C   LIG    1        1.066   2.475  -0.303  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.566   4.367   0.180  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1       -0.198   4.700   1.493  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.375   5.998   1.976  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.923   6.981   1.155  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.294   6.666  -0.150  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.118   5.368  -0.634  0.00  0.00    +0.004 A 
ENDBRANCH   5   7
BRANCH   1  13
ATOM     13  N   LIG    1        2.099   0.281  -0.042  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        1.667   0.165   0.869  0.00  0.00    +0.149 HD
BRANCH  13  26
ATOM     15  C   LIG    1        3.363  -1.316   1.873  0.00  0.00    +0.155 C 
ATOM     16  N   LIG    1        3.382  -1.664   0.463  0.00  0.00    -0.282 N 
ATOM     17  C   LIG    1        4.047  -2.844   0.115  0.00  0.00    +0.279 A 
ATOM     18  O   LIG    1        4.565  -3.623   0.910  0.00  0.00    -0.265 OA
ATOM     19  C   LIG    1        4.061  -3.059  -1.289  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1        3.480  -2.207  -2.175  0.00  0.00    +0.097 A 
ATOM     21  C   LIG    1        3.672  -2.696  -3.475  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        4.388  -3.872  -3.342  0.00  0.00    +0.085 A 
ATOM     23  N   LIG    1        2.809  -1.057  -1.791  0.00  0.00    -0.214 NA
ATOM     24  N   LIG    1        4.620  -4.084  -2.001  0.00  0.00    -0.355 N 
ATOM     25  H   LIG    1        5.122  -4.864  -1.594  0.00  0.00    +0.166 HD
ATOM     26  C   LIG    1        2.775  -0.833  -0.499  0.00  0.00    +0.199 A 
ENDBRANCH  13  26
ENDBRANCH   1  13
BRANCH   3  27
ATOM     27  C   LIG    1       -2.104  -0.357   0.269  0.00  0.00    +0.089 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.728  -1.818   0.573  0.00  0.00    +0.050 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.956  -2.679   0.754  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1       -3.544  -2.822   2.018  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.690  -3.602   2.180  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.260  -4.242   1.081  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.685  -4.102  -0.181  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.539  -3.323  -0.345  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 6