REMARK  Name = BDB044043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.171   1.405  -0.055  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.018   0.695   0.636  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1       -0.789   1.401   0.347  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1        0.166   0.414   0.311  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.380  -0.867   0.231  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.423  -1.996   0.153  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        1.806  -1.793   0.075  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        2.363  -0.504   0.158  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.534   0.619   0.279  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -1.859  -0.756   0.172  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.113   1.978   0.377  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1        1.689   2.827   1.148  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        3.172   2.241  -0.451  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.468   3.209  -0.483  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.353   1.670  -1.265  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   6  16
ATOM     16  N   LIG    1       -0.115  -3.264  -0.075  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -1.051  -3.391   0.294  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        0.502  -4.028   0.183  0.00  0.00    +0.142 HD
ENDBRANCH   6  16
TORSDOF 2