REMARK  Name = BDB021321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449  -0.091  -0.043  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.398   0.230   1.059  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.760   0.215   0.824  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        2.377   0.605   1.990  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.355   0.797   2.890  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        2.312  -0.111  -0.426  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.530  -0.366  -1.439  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.134   0.560   2.311  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.168  -0.344  -1.219  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.754  -0.138   0.147  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1       -4.062  -1.201  -0.444  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.665  -1.191  -0.506  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.931  -0.112   0.011  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.630   0.947   0.606  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.026   0.938   0.669  0.00  0.00    +0.004 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -6.264  -0.140   0.201  0.00  0.00    +0.050 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.876   0.513  -1.052  0.00  0.00    +0.088 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -8.927   1.403  -0.069  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -8.346   0.577  -1.123  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1       -8.968  -0.743  -1.159  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1        1.475   1.207   4.256  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        1.618   1.541   5.359  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1        3.679  -0.140  -0.610  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.838  -0.185  -1.617  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.453  -1.219   0.003  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.887  -1.137  -0.436  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.702  -0.043  -0.155  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.388   1.237   0.524  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        7.807   1.774   0.715  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.682   1.149  -0.251  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        8.021  -0.002  -0.590  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.592  -1.029  -1.315  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.802  -2.142  -1.595  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        6.471  -2.188  -1.156  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.743  -3.276  -1.449  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 8