REMARK  Name = BDB022274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228  -0.658   1.851  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.136  -0.416   1.300  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.267  -0.859   2.012  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.544  -0.584   1.500  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.709   0.098   0.290  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.607   0.511  -0.452  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        1.101  -1.599   3.220  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        2.261  -2.079   3.954  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.153  -1.933   3.698  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -0.359  -2.605   4.707  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.330   0.225   0.056  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.317  -1.409   2.958  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.313  -0.083   1.190  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -2.078   0.816   0.777  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.862  -0.086   0.866  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1       -3.658  -0.138   1.773  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -4.534  -1.349   1.612  0.00  0.00    +0.027 C 
BRANCH  15  19
ATOM     18  C   LIG    1       -7.327   0.203   0.614  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -6.054   0.735   1.252  0.00  0.00    +0.002 C 
ENDBRANCH  15  19
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        1.710   1.148  -1.706  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        0.907   1.745  -1.900  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.795   1.272  -2.603  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        3.024   2.466  -3.314  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        4.143   2.536  -4.139  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        4.558   3.940  -5.047  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        5.037   1.536  -4.314  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        4.788   0.396  -3.620  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        3.706   0.221  -2.770  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        2.142   3.583  -3.181  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        1.387   4.453  -3.043  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        5.779  -0.701  -3.813  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        5.715  -1.789  -3.272  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        6.763  -0.318  -4.660  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        6.602   0.607  -4.965  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8