REMARK  Name = BDB008090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.308   0.213  -0.317  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.299   1.358   0.470  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.749   2.603  -0.090  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.254   3.374   0.954  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.780   4.659   0.768  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.794   5.165  -0.534  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.296   4.427  -1.603  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1       -2.436   6.738  -0.817  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -1.098   2.645   2.106  0.00  0.00    -0.349 N 
ATOM     10  H   LIG    1       -1.303   2.995   3.034  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.768   3.146  -1.393  0.00  0.00    +0.012 A 
ATOM     12  CA  LIG    1       -0.574   1.401   1.839  0.00  0.00    +0.130 A 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.309   0.410   2.858  0.00  0.00    +0.354 C 
ATOM     14  O   LIG    1        0.684  -0.294   2.937  0.00  0.00    -0.243 OA
BRANCH  13  15
ATOM     15  OXT LIG    1       -1.323   0.346   3.754  0.00  0.00    -0.476 OA
ATOM     16  HXT LIG    1       -2.150   0.734   3.418  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1   2
BRANCH   1  19
ATOM     17  N   LIG    1       -1.784  -0.857  -1.045  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1       -1.980   0.083  -1.368  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -0.643  -1.017  -0.269  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -0.413  -2.029   0.387  0.00  0.00    -0.274 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -2.413  -3.193  -1.613  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -2.893  -1.823  -1.108  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -3.932  -1.282  -2.108  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -3.565  -1.967   0.266  0.00  0.00    +0.031 C 
ENDBRANCH  17  22
ENDBRANCH   1  19
BRANCH   1  25
ATOM     25  N   LIG    1        1.646  -0.055   0.225  0.00  0.00    -0.298 NA
ATOM     26  H   LIG    1        1.533  -0.459   1.165  0.00  0.00    +0.123 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.400  -1.002  -0.589  0.00  0.00    +0.117 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.756  -1.262   0.027  0.00  0.00    -0.033 A 
ATOM     29  C   LIG    1        3.906  -2.253   1.009  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        5.152  -2.486   1.596  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.251  -1.722   1.210  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        7.787  -2.008   1.932  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        6.115  -0.725   0.247  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        4.869  -0.491  -0.340  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 8