REMARK  Name = BDB041050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202   0.217   0.014  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -1.550  -0.185  -0.107  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -2.513   0.810  -0.043  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1       -3.744   0.229  -0.179  0.00  0.00    -0.346 N 
ATOM      5  H   LIG    1       -4.612   0.745  -0.167  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -3.602  -1.127  -0.331  0.00  0.00    +0.085 A 
ATOM      7  N   LIG    1       -2.311   2.123   0.122  0.00  0.00    -0.218 NA
ATOM      8  C   LIG    1       -1.002   2.402   0.227  0.00  0.00    +0.225 A 
ATOM      9  C   LIG    1       -2.253  -1.413  -0.290  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1        0.035   1.545   0.183  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.844  -0.726  -0.039  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.497  -1.668  -0.168  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1        4.265   0.212   0.260  0.00  0.00    +0.136 A 
ATOM     14  N   LIG    1        4.362  -1.111   0.110  0.00  0.00    -0.181 NA
ATOM     15  N   LIG    1        3.081  -1.501  -0.006  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        2.895  -2.488  -0.133  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        2.171  -0.477   0.064  0.00  0.00    +0.119 A 
ATOM     18  C   LIG    1        2.931   0.658   0.239  0.00  0.00    +0.064 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
TORSDOF 2