REMARK  Name = BDB022280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.979  -0.749  -0.171  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.528  -1.002   0.074  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.004  -2.301  -0.048  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.372  -2.503   0.148  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.218  -1.444   0.493  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.714  -0.159   0.673  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.877  -3.391  -0.335  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.353  -4.743  -0.446  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.243  -3.209  -0.455  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -3.054  -4.115  -0.640  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.343   0.043   0.458  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.749  -1.824  -0.381  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.396   0.583  -0.179  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -1.711   1.158  -0.668  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.745   1.176  -0.262  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -3.540   2.705  -0.141  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -4.368   0.896  -1.637  0.00  0.00    +0.031 C 
BRANCH  15  19
ATOM     18  C   LIG    1       -6.014   1.292   1.009  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -4.620   0.679   0.917  0.00  0.00    +0.022 C 
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.518   0.950   1.007  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.998   1.660   1.521  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.897   1.200   0.828  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.610   2.030   1.718  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.975   2.200   1.510  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        6.967   3.186   2.516  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.683   1.623   0.513  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        5.972   0.828  -0.328  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        4.610   0.591  -0.213  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.952   2.683   2.805  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.370   3.208   3.660  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        6.755   0.193  -1.426  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        6.289  -0.557  -2.263  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        8.056   0.562  -1.362  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        8.197   1.170  -0.599  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8