REMARK  Name = BDB062131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.357  -1.474  -0.951  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.020  -1.382  -0.781  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1       -1.495  -2.526  -1.391  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -2.874  -2.909  -1.567  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -0.427  -3.234  -1.864  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.707  -2.622  -1.621  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.091  -1.256   1.913  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.683  -0.372   0.848  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        1.339  -0.491  -0.516  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.959   0.345  -1.474  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        1.671   0.209  -2.946  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.886   1.312  -1.050  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.204   1.468   0.304  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        2.595   0.623   1.241  0.00  0.00    +0.009 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.187   2.521   0.750  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.356   1.928   1.387  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1        5.771   1.254   0.744  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        6.056   2.651   1.540  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.854  -0.353  -0.167  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.675  -0.659   0.928  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.464   0.320   1.553  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -3.487   1.612   0.997  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -2.661   1.928  -0.091  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -1.842   0.953  -0.662  0.00  0.00    +0.011 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -4.354  -0.088   2.564  0.00  0.00    -0.357 N 
ATOM     26  H   LIG    1       -4.042  -0.896   3.095  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1       -4.687   0.655   3.175  0.00  0.00    +0.142 HD
ENDBRANCH  21  25
BRANCH  22  28
ATOM     28  C   LIG    1       -4.331   2.640   1.535  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -5.004   3.474   1.982  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH   2  19
TORSDOF 6