REMARK  Name = BDB024499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.961   0.732   1.118  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.145   0.139   0.138  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.758  -0.803  -0.822  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.772  -2.229  -0.259  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.110  -0.715  -2.200  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.631  -1.012  -2.114  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.975  -0.207  -1.028  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.572  -0.015  -1.074  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.318  -0.485  -2.009  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.509  -0.070  -1.621  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.404   0.703  -0.482  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1       -0.082   0.716  -0.089  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.615   1.259   0.989  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.002   1.053   1.038  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.711   0.341   0.057  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.633   1.593   1.926  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.556   1.366   0.171  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.352   2.832   0.596  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.097   2.494   1.918  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -2.767   0.999   1.651  0.00  0.00    +0.040 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.604   2.875   1.991  0.00  0.00    +0.308 C 
ATOM     22  O   LIG    1       -5.481   2.654   1.165  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.934   3.533   3.127  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -5.895   3.702   3.031  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.119   0.815   2.062  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.242   0.246   1.089  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.794  -0.411  -2.315  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.642  -1.410  -1.556  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -4.963  -1.102  -1.199  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.740  -2.025  -0.498  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.211  -3.268  -0.154  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.905  -3.590  -0.514  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.125  -2.669  -1.214  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 6