REMARK  Name = BDB021038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.840   3.436  -1.840  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -6.057   2.502  -1.067  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -6.553   1.683  -0.750  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.762   2.241  -1.444  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.110   1.304  -0.653  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.728   1.013  -1.038  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.217  -0.194  -0.336  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.896  -0.800   0.693  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.151  -1.849   1.147  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.019  -1.940   0.485  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.189  -0.365   1.167  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.051  -0.929  -0.447  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.443   1.083   0.761  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -4.236   2.785  -2.409  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.037  -0.677  -1.375  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.359  -0.423  -0.916  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.376  -0.168  -1.860  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.682   0.099  -1.418  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        3.961   0.111  -0.055  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.010  -0.124   0.873  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        2.072  -0.180  -3.231  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.778  -0.445  -3.674  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.756  -0.390   0.430  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -0.234  -0.695  -2.752  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.295   0.385   0.463  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        5.727   0.707   1.784  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1        4.904   0.864   3.011  0.00  0.00    +0.068 C 
ATOM     28  N   LIG    1        7.056   0.883   1.850  0.00  0.00    -0.176 NA
ATOM     29  N   LIG    1        7.474   0.659   0.596  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.882   0.746   0.296  0.00  0.00    +0.172 C 
ATOM     31  C   LIG    1        6.466   0.360  -0.272  0.00  0.00    +0.118 A 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  32
ATOM     32  C   LIG    1       -2.542  -2.815   2.299  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -3.671  -3.790   2.087  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -2.255  -4.285   2.137  0.00  0.00    +0.012 C 
ENDBRANCH   9  32
TORSDOF 3