REMARK  Name = BDB024496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.329  -1.231  -0.152  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.554  -0.176   0.366  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.318   1.050   0.664  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.737   1.764  -0.632  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.593   2.000   1.613  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.224   2.336   1.065  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.455   1.069   0.819  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.043   1.088   0.900  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.212   2.154   1.135  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.019   1.681   1.104  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.008   0.311   0.899  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.308  -0.078   0.744  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.928  -1.303   0.508  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.328  -1.310   0.406  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.113  -0.149   0.507  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.557  -1.259  -0.079  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.181  -0.556   0.814  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.395  -1.109  -0.601  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.742  -1.837  -0.715  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.146  -2.591   0.563  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.951  -2.914   1.454  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.210  -1.652   1.897  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.733  -2.755  -1.916  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.362  -2.589  -2.948  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.925  -3.822  -1.774  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.016  -4.302  -2.624  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.435  -3.221  -1.395  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.631  -2.192  -0.817  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.250   2.527   1.258  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.087   2.633  -0.001  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -2.501   2.978  -1.228  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.276   3.065  -2.385  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.646   2.822  -2.327  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.245   2.501  -1.111  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.472   2.413   0.048  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6