REMARK  Name = BDB048891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.626  -0.081   0.013  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.417  -0.468   1.075  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.087  -0.679   2.004  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.722  -0.496   0.666  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1        3.665  -0.110  -0.664  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1        4.757  -0.005  -1.453  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1        5.919  -0.309  -0.834  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        6.054  -0.702   0.494  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        4.921  -0.808   1.300  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        2.380   0.145  -1.050  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.691   0.400   0.103  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -1.993  -0.191   1.171  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -0.597  -0.361   1.161  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.168   0.069   0.075  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.506   0.667  -0.992  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.900   0.835  -0.971  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.763   1.056  -1.065  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1       -4.079   0.579   0.136  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -4.873  -0.285   1.009  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 2