REMARK  Name = BDB021350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.471  -1.269  -2.587  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -2.520  -1.276  -1.699  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -2.029  -0.784  -0.576  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1       -0.682  -0.504  -0.700  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.090   0.002   0.360  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.468   0.268   1.509  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -1.815  -0.002   1.642  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -2.628  -0.504   0.686  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -0.327  -0.781  -2.000  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.992  -0.728   1.020  0.00  0.00    +0.074 A 
ATOM     11  N   LIG    1       -5.024  -0.180   0.287  0.00  0.00    -0.261 N 
ATOM     12  N   LIG    1       -6.246  -0.498   0.760  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.989  -1.274   1.812  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -4.611  -1.443   2.030  0.00  0.00    +0.049 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.889   0.746  -0.866  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -4.234   2.104  -0.753  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -5.713   2.010  -0.976  0.00  0.00    +0.029 C 
ENDBRANCH  11  15
ENDBRANCH   8  10
BRANCH   1  19
ATOM     18  N   LIG    1       -1.722  -2.067  -5.042  0.00  0.00    -0.189 NA
ATOM     19  C   LIG    1       -1.627  -1.713  -3.939  0.00  0.00    +0.121 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  N   LIG    1        1.433   0.248   0.188  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.737   0.847   0.954  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.353  -0.882   0.105  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.726  -0.385  -0.234  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.621   0.071   0.729  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.508   0.105   2.207  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.717   0.985   2.530  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.656   0.914   1.434  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.885   0.524   0.370  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.315   0.552  -0.942  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.428   0.119  -1.925  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.152  -0.338  -1.569  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.326  -0.753  -2.541  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 6