REMARK  Name = BDB007822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.398  -0.002   0.281  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.739  -1.121  -0.073  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.612  -1.072  -0.102  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -1.185  -2.273  -0.414  0.00  0.00    -0.460 OA
ATOM      5  C   LIG    1       -2.483  -2.446   0.148  0.00  0.00    +0.183 C 
ATOM      6  C   LIG    1       -3.428  -1.238  -0.044  0.00  0.00    +0.268 C 
ATOM      7  N   LIG    1       -2.797   0.011   0.074  0.00  0.00    -0.232 N 
ATOM      8  O   LIG    1       -4.636  -1.398  -0.234  0.00  0.00    -0.271 OA
ATOM      9  C   LIG    1       -3.079  -3.668  -0.567  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -2.369  -2.768   1.648  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -1.373   0.067   0.163  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -0.657   1.197   0.567  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        0.740   1.168   0.618  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -3.566   1.215  -0.022  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -3.157   2.287  -0.834  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -3.928   3.451  -0.933  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -5.124   3.550  -0.230  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.072   4.980  -0.349  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.560   2.493   0.562  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -4.788   1.330   0.658  0.00  0.00    +0.025 A 
ENDBRANCH   7  14
BRANCH   1  22
ATOM     21  C   LIG    1        3.753   0.767   0.614  0.00  0.00    +0.235 C 
ATOM     22  N   LIG    1        2.782  -0.156   0.273  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        3.065  -1.088   0.002  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1        3.538   1.898   1.039  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1        5.181   0.194   0.418  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1        6.226   1.171   0.952  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1        6.485  -1.016  -1.255  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        5.395  -0.079  -1.022  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1        4.544  -0.443  -1.448  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  22
TORSDOF 4