REMARK  Name = BDB021352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364   0.134   1.026  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.479  -0.994   1.224  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.704  -0.755   1.818  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        2.315  -1.976   1.987  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.451  -2.890   1.428  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        2.137   0.535   2.174  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.339   1.556   2.018  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.323  -2.275   0.947  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.105   1.328   1.446  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.752  -0.991   2.477  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.831  -0.427   1.087  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1       -1.706   0.080   0.418  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.887   0.552  -0.882  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -3.067   0.561  -1.545  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1       -4.142   0.056  -0.892  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -4.059  -0.442   0.410  0.00  0.00    +0.028 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.471   0.049  -1.630  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -6.084  -1.291  -1.772  0.00  0.00    -0.303 NA
ATOM     19  C   LIG    1       -5.276  -2.141  -2.654  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1       -7.437  -1.161  -2.315  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1        1.635  -4.306   1.336  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        1.828  -5.450   1.273  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1        3.392   0.735   2.706  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.425   1.689   3.069  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.591   0.524   1.896  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.713   1.553   0.809  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.358   1.311  -0.515  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.772   0.109  -1.156  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        3.964   0.487  -2.625  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        4.062   1.925  -2.727  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        4.462   2.313  -1.474  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        4.907   3.585  -1.173  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        5.273   3.849   0.145  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        5.174   2.843   1.114  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.519   3.134   2.377  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7