REMARK  Name = BDB008559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.166  -0.020  -0.242  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        2.128  -0.219  -1.132  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.635   0.031  -2.411  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.775  -0.117  -3.518  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.442  -0.505  -3.321  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.065  -0.742  -2.038  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        3.999   0.401  -2.254  0.00  0.00    +0.066 A 
ATOM      8 CL   LIG    1        5.067   0.810  -3.512  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1        0.793  -0.604  -0.927  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        4.297   0.368  -0.913  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.513  -1.163  -1.780  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -2.333  -1.609  -2.998  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.267  -0.188  -0.955  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.101  -0.715   0.039  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.299  -1.934   0.133  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.694   0.213   1.127  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.364   1.385   0.665  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -4.325   2.476   1.593  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.280   2.020   3.057  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.089   1.215   3.372  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.349   1.814   3.737  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.592   0.514   2.170  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.110   1.232  -1.201  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -3.213   2.030  -1.856  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.912   1.859  -2.562  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.085  -0.170   1.203  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.181  -1.623   1.672  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.560  -2.240   1.446  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.777  -1.776   3.435  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.588  -1.464   2.061  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8