REMARK  Name = BDB009080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.490  -0.499   0.733  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.311  -0.946   0.129  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.581  -1.791   0.815  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.254  -2.212   2.111  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.918  -1.772   2.721  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.782  -0.917   2.037  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.517   0.664  -2.017  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.385   0.866  -1.174  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        2.424   0.357   0.114  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        3.247   0.579   0.661  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.560   1.782  -1.486  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.898   1.097  -1.406  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        5.153  -0.073  -2.117  0.00  0.00    +0.114 A 
ATOM     14  N   LIG    1        6.334  -0.731  -2.088  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.316  -0.193  -1.335  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.170   0.973  -0.603  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.943   1.628  -0.643  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.843  -2.305   0.158  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.622  -1.254  -0.628  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.494  -0.279   0.101  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.605  -0.310   1.599  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.305   0.921   2.186  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.525   1.310   1.361  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.131   1.613  -0.086  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.172   0.604  -0.654  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.005   0.609  -2.129  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -4.584   1.423  -2.841  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -3.174  -0.351  -2.639  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -3.030  -0.358  -3.643  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.488  -1.278  -1.921  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5