REMARK  Name = BDB004361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.093   0.825  -1.078  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.114  -0.097  -0.679  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.152   0.349  -0.280  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -2.191  -0.604   0.153  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -3.471  -0.019   0.540  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.493  -0.858   0.955  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -5.727  -0.322   1.329  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -5.919   1.062   1.282  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -4.881   1.900   0.863  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.233  -2.305   0.987  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -5.097  -3.098   1.345  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -2.973  -2.702   0.596  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -2.775  -3.697   0.608  0.00  0.00    +0.192 HD
ATOM     14  C   LIG    1       -3.650   1.357   0.490  0.00  0.00    +0.138 A 
ATOM     15  O   LIG    1       -2.672   2.232   0.091  0.00  0.00    -0.455 OA
ATOM     16  N   LIG    1       -1.960  -1.883   0.184  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1       -1.455   1.712  -0.282  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1       -0.487   2.634  -0.681  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        0.779   2.193  -1.075  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        2.467   0.353  -1.507  0.00  0.00    +0.120 C 
BRANCH  20  27
ATOM     21  O   LIG    1        5.973  -1.537  -1.877  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1        5.253  -0.956  -1.067  0.00  0.00    +0.227 C 
ATOM     23  N   LIG    1        4.837  -1.607   0.068  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        5.086  -2.588   0.094  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        3.719  -1.142   0.863  0.00  0.00    +0.119 C 
ATOM     26  C   LIG    1        3.485   0.369   0.743  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        3.545   0.867  -0.645  0.00  0.00    -0.288 NA
ATOM     28  C   LIG    1        4.872   0.523  -1.216  0.00  0.00    +0.180 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 2