REMARK  Name = BDB051854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.154   0.251  -2.637  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        1.317  -0.079  -1.508  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.434   0.790  -0.896  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.225   1.947  -1.208  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.212   0.056   0.213  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        0.344  -1.238   0.203  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -0.030  -2.199   1.128  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.980  -1.850   2.083  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.536  -0.559   2.095  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.164   0.427   1.155  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        1.343  -1.385  -0.896  0.00  0.00    +0.143 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -1.844   1.746   1.294  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -2.560   1.982   2.264  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -1.690   2.700   0.338  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -1.008   2.641  -0.417  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -2.103   3.606   0.510  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
TORSDOF 1