REMARK  Name = BDB062148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.232  -2.323  -0.830  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -2.340  -1.644  -0.336  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -3.383  -2.519  -0.566  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -4.761  -2.356  -0.169  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -2.887  -3.616  -1.211  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.588  -3.533  -1.376  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.465  -0.357   0.356  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.102   0.772  -0.234  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -3.211   1.978   0.515  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.858   3.089  -0.083  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.374   3.033  -1.377  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.253   1.867  -2.114  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.665   2.025   1.823  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -2.029   0.909   2.377  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.625   0.757  -1.551  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.932  -0.271   1.649  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -2.740   3.212   2.630  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -2.804   4.166   3.289  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        0.562  -3.626   1.069  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        1.015  -2.482   0.200  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        0.151  -1.877  -0.744  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.638  -0.854  -1.585  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -0.205  -0.181  -2.633  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.962  -0.408  -1.426  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.819  -0.983  -0.480  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        2.339  -2.028   0.317  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.245  -0.493  -0.340  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.330   0.923   0.028  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1        3.833   1.200   1.378  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        4.390   2.584   1.676  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        5.606   2.731   0.768  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        5.710   1.406   0.030  0.00  0.00    +0.085 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 5