REMARK  Name = BDB036971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255   2.495  -0.999  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.878   1.105  -1.062  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -0.249   0.195  -0.077  0.00  0.00    -0.315 N 
ATOM      4  C   LIG    1       -1.300  -0.574   0.444  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.554  -0.065   0.098  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -3.738  -0.650   0.522  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.659  -1.790   1.319  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.411  -2.311   1.684  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.228  -1.699   1.252  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -2.389   1.171  -0.717  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.097  -0.387  -0.217  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        1.847  -0.027  -1.519  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        1.347  -0.060  -2.643  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.188   0.260  -1.402  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.663   0.450  -2.274  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.007  -0.049  -0.348  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.228  -0.045  -0.471  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.326  -0.484   0.923  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        1.916   0.071   0.998  0.00  0.00    +0.041 C 
ENDBRANCH   3  11
TORSDOF 1