REMARK  Name = BDB024585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.209  -1.041   0.747  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.180  -1.648   0.004  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.236  -3.100  -0.293  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.354  -3.423  -1.301  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -2.935  -3.699  -0.850  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.731  -3.101  -0.159  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.755  -1.622  -0.411  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.579  -0.900  -0.705  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.696  -1.375  -0.879  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.441  -0.330  -1.190  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        0.695   0.831  -1.103  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1       -0.622   0.478  -0.891  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.828   1.183  -0.846  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.992   0.459  -0.551  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.979  -0.923  -0.319  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -5.259   0.134   1.094  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.188   2.200  -1.398  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1        2.487   2.600  -0.620  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1        1.854   3.947  -0.426  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1        2.275   5.109  -1.288  0.00  0.00    +0.089 C 
ATOM     21  N   LIG    1        2.065   5.975  -0.100  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1        2.788   6.676   0.055  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        2.157   4.782   0.782  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1        0.481   3.356  -0.613  0.00  0.00    +0.034 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1       -7.240  -1.372   1.889  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1       -6.183  -1.931   1.108  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1        2.873  -0.424  -1.629  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.893  -0.450  -0.508  0.00  0.00    -0.037 A 
ATOM     29  C   LIG    1        3.657  -1.147   0.692  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        4.617  -1.177   1.706  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        5.836  -0.525   1.512  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        6.099   0.146   0.319  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.136   0.177  -0.689  0.00  0.00    +0.004 A 
BRANCH  30  34
ATOM     34  O   LIG    1        4.491  -1.806   2.914  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1        3.251  -2.454   3.172  0.00  0.00    +0.277 C 
ENDBRANCH  30  34
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5