REMARK  Name = BDB047903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.049  -0.256  -0.125  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -0.485  -1.511  -0.488  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.159  -2.225  -0.793  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1       -1.810  -1.860  -0.570  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1       -2.166  -2.975  -0.932  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.768  -0.807  -0.203  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -2.246   0.438   0.156  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -3.134   1.457   0.505  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.515   1.233   0.493  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.021  -0.016   0.130  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.146  -1.043  -0.221  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1       -0.866   0.702   0.180  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.190   0.481  -0.075  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.701  -0.807   0.155  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.325  -1.064   0.160  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.421  -0.033  -0.115  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        1.907   1.250  -0.387  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.284   1.495  -0.393  0.00  0.00    +0.023 A 
BRANCH  13  19
ATOM     19  N   LIG    1        5.565   0.700  -0.200  0.00  0.00    -0.358 N 
ATOM     20  H   LIG    1        6.139   0.055   0.334  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1        5.843   1.667  -0.059  0.00  0.00    +0.142 HD
ENDBRANCH  13  19
ENDBRANCH   1  16
TORSDOF 2