REMARK  Name = BDB000649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.502  -0.038  -0.876  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -3.722   0.403  -0.235  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -4.745  -0.446   0.224  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -5.777   0.286   0.808  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -6.910  -0.298   1.344  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -6.995  -1.689   1.279  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.964  -2.444   0.690  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -5.413   1.699   0.727  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -6.056   2.641   1.129  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1       -4.826  -1.825   0.154  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.035   1.731   0.020  0.00  0.00    +0.291 C 
ATOM     12  O   LIG    1       -3.406   2.736  -0.235  0.00  0.00    -0.266 OA
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -1.465  -0.597   0.104  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.897   0.418   1.102  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.120   1.590   0.492  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.099   1.155  -0.325  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.918   2.362  -0.782  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.061   2.021  -1.745  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.144   1.111  -1.155  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.950  -0.363  -1.526  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.066  -1.272  -1.000  0.00  0.00    -0.000 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.117  -2.403   0.990  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.070  -1.404   0.524  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 11