REMARK  Name = BDB020515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.124  -0.263  -0.183  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        2.029  -0.358   0.663  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.793   0.058   0.151  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        0.667   0.559  -1.165  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.857   0.642  -1.915  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        1.809   1.162  -3.201  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.619   1.612  -3.772  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.562   1.526  -3.049  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.554   0.987  -1.756  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.046   0.240  -1.441  0.00  0.00    -0.246 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.825   0.892  -1.067  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.495  -0.270  -0.752  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.250  -1.708  -0.949  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -2.769  -2.430   0.205  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.003  -2.110   0.771  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.632  -0.764   0.397  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -5.766  -0.986  -0.599  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -4.600  -2.878   1.530  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -2.208  -3.745   0.458  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.638   0.152  -0.128  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -3.632   1.516  -0.099  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -2.555   1.992  -0.686  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.737   2.422   0.515  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.835   2.540   2.013  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.327   3.697   1.204  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  32
ATOM     26  C   LIG    1        5.750   1.569  -0.195  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        5.579   0.144   0.193  0.00  0.00    +0.045 A 
ATOM     28  N   LIG    1        6.619  -0.652   0.607  0.00  0.00    -0.271 N 
ATOM     29  C   LIG    1        8.011  -0.286   0.729  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.240  -1.902   0.936  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.936  -1.922   0.657  0.00  0.00    +0.144 A 
ATOM     32  C   LIG    1        4.459  -0.672   0.211  0.00  0.00    +0.041 A 
ENDBRANCH   1  32
BRANCH   2  33
ATOM     33  C   LIG    1        2.134  -0.886   2.060  0.00  0.00    +0.374 C 
ATOM     34  F   LIG    1        1.033  -0.609   2.818  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        2.253  -2.243   2.088  0.00  0.00    -0.204 F 
ENDBRANCH   2  33
TORSDOF 4