REMARK  Name = BDB022268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.231   1.249  -0.169  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.769   1.132  -0.430  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.036   2.258  -0.847  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.347   2.135  -1.047  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.999   0.910  -0.869  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.287  -0.230  -0.509  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.712   3.491  -1.089  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.029   4.659  -1.539  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.087   3.600  -0.967  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.732   4.617  -1.216  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.093  -0.101  -0.293  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.816   2.415  -0.473  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.887   0.148   0.374  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -2.303  -0.367   1.026  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.535   0.664   2.109  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -4.301   0.051   0.729  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.771  -1.388   0.714  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.965  -2.536   1.279  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.175  -2.426  -0.208  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        1.890  -1.487  -0.302  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.254  -2.258  -0.502  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.216  -1.850   0.026  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        3.766  -3.073  -0.403  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.090  -3.347  -0.080  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        5.888  -4.804  -0.539  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        5.894  -2.521   0.620  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        5.353  -1.350   1.026  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        4.041  -0.982   0.753  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        2.989  -4.009  -1.151  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        2.307  -4.742  -1.739  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        6.213  -0.410   1.804  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        5.872   0.689   2.206  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        7.448  -0.890   2.036  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        7.906  -0.191   2.546  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8