REMARK  Name = BDB008890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.132   0.138  -2.098  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -3.226  -4.019   0.858  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -2.800  -3.060   0.224  0.00  0.00    +0.268 A 
ATOM      4  C   LIG    1       -3.365  -1.698   0.391  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -4.517  -1.564   1.347  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -5.265  -0.237   1.197  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.289   0.924   1.060  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.369   0.739  -0.151  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -2.854  -0.665  -0.303  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -1.740  -0.978  -1.253  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1       -1.246  -2.170  -1.419  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1       -1.779  -3.178  -0.679  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1       -1.377  -4.100  -0.810  0.00  0.00    +0.192 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.106   0.973  -1.365  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        0.938   0.370  -0.647  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        1.900   1.144   0.021  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        1.825   2.540  -0.060  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        0.805   3.150  -0.789  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -0.152   2.372  -1.441  0.00  0.00    +0.004 A 
BRANCH  16  20
ATOM     20  C   LIG    1        3.018   0.474   0.785  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.037  -0.044  -0.128  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        4.338   0.710  -0.743  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        5.165  -0.652   0.579  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        6.481  -0.787  -0.133  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        6.336   0.191   0.997  0.00  0.00    +0.020 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  14
TORSDOF 5