REMARK  Name = BDB061866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.317   0.075  -1.077  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.013   0.521  -0.512  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.630   1.872  -0.608  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.584   2.279  -0.034  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.429   1.362   0.599  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.095   0.012   0.668  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.461   2.795  -1.311  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.066   4.189  -1.438  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.622   2.387  -1.944  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -3.350   3.120  -2.611  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.124  -0.390   0.100  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.022   0.975  -1.776  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.725  -1.237  -0.840  0.00  0.00    -0.343 N 
ATOM     14  H   LIG    1       -2.417  -1.582   0.066  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.989  -1.839  -1.248  0.00  0.00    +0.101 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.420  -2.131  -0.660  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -5.105  -1.476  -0.270  0.00  0.00    +0.015 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        1.940  -0.967   1.227  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        1.427  -1.787   1.547  0.00  0.00    +0.152 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.342  -1.017   1.399  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.918  -1.775   2.439  0.00  0.00    +0.110 A 
ATOM     22  C   LIG    1        5.301  -1.748   2.587  0.00  0.00    +0.149 A 
ATOM     23 CL   LIG    1        6.137  -2.627   3.810  0.00  0.00    -0.061 Cl
ATOM     24  N   LIG    1        6.147  -1.038   1.807  0.00  0.00    -0.227 NA
ATOM     25  CA  LIG    1        5.566  -0.315   0.816  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1        4.199  -0.273   0.579  0.00  0.00    +0.059 A 
BRANCH  21  27
ATOM     27  C   LIG    1        3.106  -2.553   3.320  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        2.405  -3.184   3.996  0.00  0.00    -0.191 NA
ENDBRANCH  21  27
BRANCH  25  29
ATOM     29  C   LIG    1        6.502   0.469  -0.039  0.00  0.00    +0.355 C 
ATOM     30  O   LIG    1        6.159   1.187  -0.960  0.00  0.00    -0.243 OA
BRANCH  29  31
ATOM     31  OXT LIG    1        7.783   0.279   0.353  0.00  0.00    -0.476 OA
ATOM     32  HXT LIG    1        7.812  -0.338   1.121  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 8