REMARK  Name = BDB058039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.608   1.716   0.514  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -3.086   0.592  -0.100  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.772   0.186  -0.100  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.724  -0.985  -0.843  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -3.082  -1.356  -1.321  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -3.433  -2.310  -1.979  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.634  -1.720  -1.102  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.917  -0.283  -0.796  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -5.280  -0.092  -0.914  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.820   1.041  -0.302  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.993   1.940   0.404  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        0.736  -1.435  -0.652  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.239  -0.137  -0.507  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.563   0.080  -0.099  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.422  -0.995   0.161  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.921  -2.294  -0.005  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        1.598  -2.511  -0.410  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.811  -0.780   0.589  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1        5.661  -1.807   0.771  0.00  0.00    -0.174 NA
ATOM     20  N   LIG    1        6.813  -1.239   1.152  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        7.604  -1.844   1.343  0.00  0.00    +0.188 HD
ATOM     22  C   LIG    1        6.753   0.117   1.230  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        5.469   0.451   0.873  0.00  0.00    +0.049 A 
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  27
ATOM     24  N   LIG    1       -3.259   3.320   2.300  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.608   3.870   2.849  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.100   3.003   2.761  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -2.723   2.665   1.225  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -1.564   2.855   0.886  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3