REMARK  Name = BDB046007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.605   0.208   1.661  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.367   0.249   1.031  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.277  -0.739   0.908  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.286  -0.185   0.105  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.565   1.199  -0.221  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.244  -1.834   1.437  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.924   1.403   0.359  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.698   2.551   0.296  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.941   2.536   0.920  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.385   1.384   1.591  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.037  -0.797  -0.046  0.00  0.00    +0.080 C 
ATOM     12  C   LIG    1        0.640  -0.566  -1.438  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        2.117  -0.934  -1.451  0.00  0.00    +0.109 C 
ATOM     14  N   LIG    1        2.880  -0.159  -0.474  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        4.261  -0.005  -0.524  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        4.896   0.680   0.270  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.142   0.477   0.614  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        0.988  -0.393   1.096  0.00  0.00    +0.041 C 
BRANCH  15  19
ATOM     19  C   LIG    1        4.983  -0.732  -1.607  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        6.346  -0.261  -2.066  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        5.160  -0.087  -2.963  0.00  0.00    +0.013 C 
ENDBRANCH  15  19
ENDBRANCH   4  11
BRANCH   1  25
ATOM     22  N   LIG    1       -4.612  -2.152   2.398  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.015  -2.872   2.981  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.663  -2.312   2.062  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -5.216  -0.935   2.399  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1       -6.275  -0.793   3.005  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3