REMARK  Name = BDB004360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.062   1.326  -3.944  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.319   0.972  -3.036  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.707   1.136  -1.627  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.818   0.716  -0.650  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        5.126   0.841   0.698  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1        4.286   0.439   1.705  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1        3.075  -0.110   1.353  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.647  -0.286   0.036  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        1.395  -0.851  -0.229  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        0.557  -1.245   0.828  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        0.999  -1.068   2.148  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.249  -0.502   2.408  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.350   1.399   1.071  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        7.253   1.827   0.092  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.543   0.135  -1.058  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1        3.202  -0.013  -2.304  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        6.933   1.696  -1.261  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        4.085   0.403  -3.260  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1        3.794   0.282  -4.225  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -0.796  -1.863   0.541  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.678  -0.983  -0.241  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -2.124   0.212   0.523  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.171  -0.069   1.631  0.00  0.00    +0.123 C 
ATOM     24  N   LIG    1       -4.322  -0.811   1.091  0.00  0.00    -0.297 N 
ATOM     25  C   LIG    1       -3.933  -2.033   0.371  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -2.877  -1.721  -0.720  0.00  0.00    +0.103 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -5.263  -0.019   0.427  0.00  0.00    +0.218 A 
ATOM     28  N   LIG    1       -6.072  -0.592  -0.483  0.00  0.00    -0.223 NA
ATOM     29  C   LIG    1       -6.987   0.184  -1.095  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -7.136   1.521  -0.841  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.278   2.027   0.098  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1       -5.350   1.288   0.734  0.00  0.00    -0.223 NA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3