REMARK  Name = BDB018823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.814   0.025   0.814  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.519  -0.140   0.377  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -0.408   0.438   1.131  0.00  0.00    +0.143 C 
ATOM      4  C   LIG    1        0.794   0.044   0.336  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.417  -0.744  -0.755  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        1.360  -1.238  -1.637  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.705  -0.926  -1.408  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.109  -0.130  -0.310  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.125   0.356   0.569  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.064  -0.932  -0.766  0.00  0.00    +0.143 C 
ATOM     11  O   LIG    1       -3.063   0.682   1.828  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        4.532   0.183  -0.093  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        4.971   1.512   0.030  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        6.321   1.809   0.236  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.255   0.781   0.325  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.842  -0.544   0.207  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.492  -0.839  -0.001  0.00  0.00    +0.008 A 
ENDBRANCH   8  12
BRANCH   1  19
ATOM     18  N   LIG    1       -5.191  -0.839   0.715  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -3.931  -0.591  -0.047  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -4.354   0.376  -1.152  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -5.410   1.231  -0.472  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -6.162   0.244   0.410  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -5.362  -2.398   2.655  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -5.282  -1.661   1.767  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3