REMARK  Name = BDB022277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.707  -4.598  -0.604  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.970  -3.251  -0.123  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.905  -2.309  -0.003  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.171  -1.014   0.478  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.088  -0.129   0.674  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.235  -0.479   0.364  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.466  -1.749  -0.158  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.568  -0.610   0.793  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.515  -1.555   0.714  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        0.415  -2.656  -0.330  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.262  -2.938   0.264  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.209  -3.722   0.237  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.250   0.481   0.545  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.035   1.131   1.300  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.510   0.646  -0.073  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.587   1.244   0.613  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.814   1.336  -0.037  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        7.211   2.044   0.680  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.059   0.890  -1.290  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.005   0.319  -1.927  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        3.742   0.177  -1.372  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.429   1.744   1.942  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.247   2.153   3.013  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        5.280  -0.172  -3.307  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        4.460  -0.721  -4.021  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        6.564   0.072  -3.657  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        7.035   0.522  -2.917  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -2.806   0.718   1.142  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -2.229   1.358   0.600  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.115   1.293   1.408  0.00  0.00    +0.105 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.925   2.712   1.846  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -3.698   3.809   0.835  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -4.995   3.743   1.593  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 8