REMARK  Name = BDB016980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.442  -0.170   0.254  0.00  0.00    -0.333 N 
ATOM      2  C   LIG    1        0.715  -0.900   0.258  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.726   0.017   0.063  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.201   1.286  -0.066  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.100   1.139   0.058  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.869   0.120   0.032  0.00  0.00    +0.104 C 
ATOM      7  N   LIG    1       -4.508   0.516   0.387  0.00  0.00    -0.305 NA
ATOM      8  C   LIG    1       -4.005  -0.286   1.506  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -2.494  -0.147   1.655  0.00  0.00    +0.040 C 
ATOM     10  C   LIG    1       -1.786  -0.713   0.416  0.00  0.00    +0.091 C 
ATOM     11  C   LIG    1       -2.631  -0.587  -0.863  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -3.622   0.571  -0.781  0.00  0.00    +0.086 C 
ENDBRANCH   1  10
BRANCH   3  13
ATOM     13  C   LIG    1        3.148  -0.285  -0.009  0.00  0.00    +0.091 A 
ATOM     14  N   LIG    1        3.512  -1.593   0.033  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        4.830  -1.878  -0.027  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        5.814  -0.918  -0.148  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        5.418   0.416  -0.214  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        4.068   0.748  -0.124  0.00  0.00    +0.045 A 
BRANCH  17  19
ATOM     19  C   LIG    1        6.467   1.451  -0.341  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        7.568   1.334   0.167  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        6.109   2.499  -1.110  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.258   2.409  -1.579  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   3  13
TORSDOF 4