REMARK  Name = BDB030749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.244  -3.668   0.701  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.551  -2.270   0.163  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -2.610  -1.321   0.750  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.743  -1.741   1.066  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.486   0.006   0.328  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -1.127   0.507  -0.025  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.919   1.879  -0.242  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -2.025   2.774  -0.211  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -3.325   2.325  -0.028  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -4.306   3.066  -0.109  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -1.824   4.195  -0.456  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        0.378   2.339  -0.525  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.456   1.456  -0.627  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.268   0.087  -0.473  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1       -0.026  -0.368  -0.173  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.523   0.872   0.291  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -4.816   0.526   0.661  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -5.366  -0.540  -0.107  0.00  0.00    +0.231 C 
ATOM     19  C   LIG    1       -4.996  -1.891   0.485  0.00  0.00    +0.063 C 
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        2.316  -0.852  -0.551  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.995  -1.768  -0.864  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.712  -0.723  -0.368  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.618  -1.550  -1.059  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.978  -1.340  -0.865  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        7.194  -2.279  -1.645  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.499  -0.394  -0.058  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        5.618   0.394   0.600  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        4.239   0.266   0.474  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.155  -2.577  -1.937  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.717  -3.407  -2.619  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        6.158   1.452   1.503  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        5.487   2.255   2.128  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        7.502   1.453   1.575  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        7.727   2.181   2.189  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH  14  20
TORSDOF 5