REMARK  Name = BDB028499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.043  -0.575   0.489  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        6.017  -1.511   0.487  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        5.492  -1.946  -0.804  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.468  -0.960  -1.378  0.00  0.00    +0.128 C 
ATOM      5  N   LIG    1        3.128  -0.954  -0.771  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1        2.161  -0.248  -1.481  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1        0.885  -0.358  -0.996  0.00  0.00    -0.297 N 
ATOM      8  H   LIG    1        0.650  -1.282  -0.659  0.00  0.00    +0.150 HD
ATOM      9  O   LIG    1        2.419   0.423  -2.477  0.00  0.00    -0.253 OA
ATOM     10  C   LIG    1        2.919  -1.508   0.574  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        3.890  -0.993   1.638  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        5.197  -1.779   1.657  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1        7.632  -0.209  -0.522  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        8.375   0.863   1.771  0.00  0.00    +0.282 C 
ATOM     15  O   LIG    1        7.323  -0.102   1.734  0.00  0.00    -0.454 OA
ENDBRANCH   1  15
BRANCH   7  16
ATOM     16  C   LIG    1       -0.214   0.266  -1.714  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.515   0.158  -0.914  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.808  -1.232  -0.680  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.777  -1.255  -0.532  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.693   0.800  -1.675  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.991   0.515  -1.019  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.132   1.272   0.245  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.511   1.173   0.866  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.626   0.797   0.097  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.894   0.739   0.690  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -8.060   1.078   2.032  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.962   1.472   2.792  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.444   0.398  -1.344  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.694   1.522   2.212  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.103   0.871  -1.920  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 6