REMARK  Name = BDB060726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.433  -1.387   0.178  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -1.461  -2.805   0.172  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.184  -3.378   0.266  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.043  -4.757   0.227  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.134  -5.611   0.105  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.411  -5.077   0.045  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1        0.942  -2.675   0.388  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        0.851  -1.349   0.434  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -2.602  -3.687   0.097  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1       -4.025  -3.193   0.095  0.00  0.00    +0.044 C 
ATOM     11  N   LIG    1       -0.291  -0.683   0.308  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -2.626  -0.656  -0.051  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1       -3.013  -0.942  -0.935  0.00  0.00    +0.155 HD
BRANCH  12  18
ATOM     14  C   LIG    1       -3.866   2.611   0.384  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1       -3.039   2.411   1.454  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -2.818   3.054   2.208  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -2.471   1.201   1.476  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -2.907   0.599   0.367  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -3.809   1.437  -0.336  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.723   4.973  -0.399  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -4.615   3.878   0.168  0.00  0.00    +0.051 C 
ENDBRANCH  14  21
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   8  22
ATOM     22  N   LIG    1        2.054  -0.674   0.584  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1        2.774  -1.328   0.306  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.098   0.595  -0.117  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.495   1.169   0.006  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        4.450   1.015  -1.016  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        5.731   1.552  -0.859  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        6.069   2.210   0.324  0.00  0.00    +0.044 A 
ATOM     29 CL   LIG    1        7.650   2.864   0.510  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        5.144   2.344   1.354  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.861   1.824   1.196  0.00  0.00    +0.010 A 
BRANCH  26  32
ATOM     32  O   LIG    1        4.034   0.363  -2.147  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1        5.044  -0.345  -2.865  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7