REMARK  Name = BDB049553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.607  -1.654   0.617  0.00  0.00    +0.069 C 
ATOM      2  C   LIG    1        2.391  -0.842   0.360  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1        2.308   0.543   0.086  0.00  0.00    +0.119 A 
ATOM      4  C   LIG    1        0.966   0.819  -0.078  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1        0.286   1.973  -0.357  0.00  0.00    -0.192 NA
ATOM      6  C   LIG    1       -0.998   1.855  -0.440  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -1.783   0.626  -0.268  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -1.080  -0.542   0.015  0.00  0.00    +0.169 A 
ATOM      9  N   LIG    1       -1.677  -1.751   0.199  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.024  -1.781   0.094  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -3.803  -0.666  -0.186  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -3.171   0.563  -0.370  0.00  0.00    +0.018 A 
ATOM     13  N   LIG    1        0.327  -0.403   0.105  0.00  0.00    -0.194 N 
ATOM     14  N   LIG    1        1.183  -1.418   0.371  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        3.377   1.478  -0.006  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        4.272   2.214  -0.074  0.00  0.00    -0.191 NA
ENDBRANCH   3  15
BRANCH   6  17
ATOM     17  O   LIG    1       -1.728   2.944  -0.711  0.00  0.00    -0.492 OA
ATOM     18  H   LIG    1       -1.117   3.696  -0.805  0.00  0.00    +0.294 HD
ENDBRANCH   6  17
TORSDOF 2