REMARK  Name = BDB049797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.910  -0.752   0.711  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        2.946  -1.347   1.391  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        2.869  -2.229   1.878  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        4.052  -0.542   1.301  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.630   0.550   0.545  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.552   1.577   0.266  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        5.862   1.466   0.773  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.247   0.355   1.529  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.347  -0.678   1.808  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.312   0.386   0.179  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.647   0.063  -0.438  0.00  0.00    +0.092 C 
ATOM     12  C   LIG    1       -1.802  -1.136   0.013  0.00  0.00    +0.130 C 
ATOM     13  N   LIG    1       -0.431  -0.654  -0.013  0.00  0.00    -0.293 N 
ATOM     14  C   LIG    1        0.581  -1.343   0.637  0.00  0.00    +0.282 C 
ATOM     15  O   LIG    1        0.361  -2.440   1.156  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -0.341   0.646  -0.665  0.00  0.00    +0.110 C 
ATOM     17  C   LIG    1       -1.689   0.825  -1.350  0.00  0.00    +0.043 C 
BRANCH  11  19
ATOM     18  C   LIG    1       -4.947  -0.807  -0.391  0.00  0.00    +0.213 C 
ATOM     19  N   LIG    1       -3.882  -0.299  -1.106  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -3.875  -0.425  -2.110  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -4.943  -0.918   0.830  0.00  0.00    -0.276 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -7.284  -1.750  -0.476  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -6.111  -1.210  -1.275  0.00  0.00    +0.092 C 
ENDBRANCH  18  23
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1        4.139   2.755  -0.529  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        3.017   3.240  -0.483  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        5.092   3.297  -1.352  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        5.911   2.774  -1.628  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        4.760   4.012  -1.987  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
TORSDOF 4