REMARK  Name = BDB030617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.110   1.148  -1.276  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.248   0.866  -1.241  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.165   1.663  -2.040  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.515   1.104  -1.736  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -3.095   1.166  -0.338  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -2.350  -0.061  -0.824  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -0.891  -0.241  -0.545  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.538   2.098  -1.936  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        3.890  -0.519   0.349  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1        3.409   0.476  -0.453  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        2.037   0.294  -0.511  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1        1.697  -0.811   0.256  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1        2.823  -1.269   0.752  0.00  0.00    +0.200 A 
BRANCH   9  15
ATOM     14  C   LIG    1        5.803  -2.072   0.183  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1        5.288  -0.729   0.700  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1        5.520  -0.584   2.203  0.00  0.00    +0.030 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1       -4.564   1.119  -0.154  0.00  0.00    +0.140 C 
ATOM     18  O   LIG    1       -5.311   1.804  -0.840  0.00  0.00    -0.297 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -5.069   0.213   0.913  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -6.311  -0.613   0.676  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.350   0.535   1.645  0.00  0.00    +0.012 C 
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4