REMARK  Name = BDB044604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.707  -2.283  -1.724  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.350  -2.539  -2.034  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.062  -3.451  -3.055  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.087  -4.123  -3.730  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.417  -3.901  -3.391  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.729  -2.986  -2.388  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.217  -0.531  -0.964  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.613  -0.658  -1.884  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.072  -1.261  -0.691  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.313  -1.093   0.260  0.00  0.00    -0.270 OA
BRANCH   7  17
ATOM     11  C   LIG    1        5.276   1.149  -2.131  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        4.894   1.231  -0.672  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        5.592   2.109   0.196  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1        5.205   2.242   1.537  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.148   1.493   2.036  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        3.485   0.590   1.207  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.846   0.436  -0.139  0.00  0.00    +0.037 A 
BRANCH  13  18
ATOM     18  C   LIG    1        6.784   2.872  -0.261  0.00  0.00    +0.337 C 
ATOM     19  O   LIG    1        7.597   2.524  -1.096  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        6.887   4.063   0.357  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        7.690   4.466  -0.035  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -0.665  -1.874  -1.299  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -0.316  -1.359  -0.490  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -2.034  -1.948  -1.460  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1       -2.633  -2.615  -2.296  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.836  -1.138  -0.493  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -2.355   0.038   0.087  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -3.154   0.757   0.985  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.455   0.333   1.323  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -4.925  -0.842   0.715  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.130  -1.565  -0.183  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -5.300   1.152   2.315  0.00  0.00    -0.013 C 
ATOM     33  C   LIG    1       -4.568   1.242   3.671  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -5.517   2.576   1.759  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -6.697   0.551   2.590  0.00  0.00    +0.015 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 7