REMARK  Name = BDB057997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.531   2.807  -0.511  0.00  0.00    +0.170 A 
ATOM      2  N   LIG    1       -4.231   1.665  -0.521  0.00  0.00    -0.159 NA
ATOM      3  N   LIG    1       -3.325   0.662  -0.342  0.00  0.00    -0.231 N 
ATOM      4  C   LIG    1       -2.021   1.161  -0.364  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -2.150   2.537  -0.408  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.813  -0.671  -0.151  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1       -3.009  -1.705   0.345  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.535  -2.991   0.516  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.866  -3.255   0.205  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.682  -2.232  -0.267  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.162  -0.947  -0.439  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  C   LIG    1       -0.775   0.402  -0.415  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.170   0.528   0.609  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.376  -0.180   0.557  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        1.652  -1.017  -0.524  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        0.721  -1.122  -1.560  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -0.484  -0.417  -1.511  0.00  0.00    +0.013 A 
BRANCH  15  18
ATOM     18  O   LIG    1        2.790  -1.752  -0.705  0.00  0.00    -0.487 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.669  -1.931   0.410  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.678  -0.815   0.570  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        5.155  -0.096  -0.535  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        6.108   0.911  -0.370  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.603   1.202   0.899  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.151   0.484   2.004  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.198  -0.523   1.841  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  27
ATOM     26  O   LIG    1       -5.374   4.340  -0.732  0.00  0.00    -0.243 OA
ATOM     27  C   LIG    1       -4.175   4.117  -0.625  0.00  0.00    +0.357 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -3.312   5.164  -0.605  0.00  0.00    -0.476 OA
ATOM     29  H   LIG    1       -3.915   5.930  -0.692  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7