REMARK  Name = BDB060721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.917  -1.430   0.233  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -0.489  -2.726   0.610  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        0.902  -2.864   0.684  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.447  -4.092   1.033  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.652  -5.198   1.322  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.730  -5.084   1.267  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        1.758  -1.871   0.439  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.257  -0.687   0.090  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -1.312  -3.863   0.914  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -0.043  -0.434  -0.019  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.297  -1.175   0.061  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -2.865  -1.844   0.572  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -3.495   1.837  -1.359  0.00  0.00    +0.038 A 
ATOM     14  N   LIG    1       -4.573   1.219  -0.794  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -5.536   1.538  -0.773  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -4.282   0.048  -0.210  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -2.965  -0.095  -0.387  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -2.432   0.995  -1.113  0.00  0.00    +0.068 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -3.386   4.309  -1.120  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -3.588   3.138  -2.069  0.00  0.00    +0.051 C 
ENDBRANCH  13  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   8  21
ATOM     21  N   LIG    1        2.099   0.381  -0.181  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        1.520   1.212  -0.132  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.284   0.416   0.648  0.00  0.00    +0.139 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.014   1.719   0.405  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.711   1.924  -0.797  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        5.377   3.128  -1.035  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.345   4.137  -0.075  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        6.164   5.622  -0.366  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.651   3.953   1.120  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.984   2.748   1.358  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   9  31
ATOM     31  O   LIG    1       -2.672  -3.664   0.875  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -3.512  -4.813   0.914  0.00  0.00    +0.277 C 
ENDBRANCH   9  31
TORSDOF 7