REMARK  Name = BDB023893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.069   4.910   0.874  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.272   3.714   0.746  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.337   3.784   1.116  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.867   2.489   0.934  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.023   1.399   0.797  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -2.612   1.504   0.377  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1       -2.132   0.210  -0.180  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -2.859  -0.962  -0.247  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.956  -1.939  -0.709  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.737  -1.415  -0.878  0.00  0.00    -0.171 NA
ATOM     11  C   LIG    1       -4.280  -1.015   0.179  0.00  0.00    +0.058 C 
ATOM     12  N   LIG    1       -0.851  -0.093  -0.598  0.00  0.00    -0.234 N 
ATOM     13  C   LIG    1       -4.524   0.081   1.230  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -6.063   2.384   1.195  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.265   0.771  -0.785  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1        1.595   0.353  -0.455  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        2.658   1.252  -0.699  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        3.976   0.892  -0.377  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.231  -0.344   0.202  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.246  -1.222   0.475  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        2.399   2.512  -1.259  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.104   2.901  -1.586  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        1.978  -0.864   0.145  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        0.040   2.035  -1.355  0.00  0.00    +0.028 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.566  -0.782   0.567  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.750  -0.093   0.388  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        7.740  -0.897   0.879  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        9.154  -0.614   0.913  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.291  -2.064   1.371  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.970  -1.994   1.177  0.00  0.00    +0.144 A 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.162  -3.405  -0.974  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1       -2.311  -4.201   0.324  0.00  0.00    +0.014 C 
ATOM     33  C   LIG    1       -3.338  -3.670  -1.915  0.00  0.00    +0.014 C 
ENDBRANCH   9  31
TORSDOF 3