REMARK  Name = BDB051496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.737   0.233  -0.290  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.206   0.475   0.984  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.008  -0.130   1.384  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        0.673   0.262   3.329  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        0.687  -0.970   0.503  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        0.140  -1.244  -0.758  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1        1.045  -2.566  -2.112  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1       -1.059  -0.638  -1.154  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.037   0.877  -0.721  0.00  0.00    +0.065 C 
BRANCH   9  10
ATOM     10  CA  LIG    1       -4.256  -0.043  -0.542  0.00  0.00    +0.165 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -5.342   0.301  -1.520  0.00  0.00    -0.318 NA
ATOM     12  H1  LIG    1       -5.024   0.020  -2.452  0.00  0.00    +0.119 HD
ATOM     13  H2  LIG    1       -5.414   1.323  -1.576  0.00  0.00    +0.119 HD
ENDBRANCH  10  11
BRANCH  10  14
ATOM     14  C   LIG    1       -4.855   0.080   0.874  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -4.228   0.168   1.916  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  OXT LIG    1       -6.215   0.065   0.827  0.00  0.00    -0.480 OA
ATOM     17  HXT LIG    1       -6.453   0.004  -0.132  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  18
ATOM     18  O   LIG    1        1.851  -1.582   0.903  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.051  -0.952   0.635  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        3.196   0.299   0.028  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1        4.475   0.823  -0.184  0.00  0.00    +0.059 A 
ATOM     22  I   LIG    1        4.634   2.699  -1.099  0.00  0.00    -0.040 I 
ATOM     23  C   LIG    1        5.612   0.106   0.206  0.00  0.00    +0.143 A 
ATOM     24  C   LIG    1        5.463  -1.143   0.814  0.00  0.00    +0.059 A 
ATOM     25  I   LIG    1        7.108  -2.281   1.428  0.00  0.00    -0.040 I 
ATOM     26  C   LIG    1        4.185  -1.669   1.028  0.00  0.00    +0.064 A 
BRANCH  23  27
ATOM     27  O   LIG    1        6.869   0.611   0.001  0.00  0.00    -0.505 OA
ATOM     28  H   LIG    1        6.780   1.484  -0.420  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8