REMARK  Name = BDB022369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.473   1.311  -0.316  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.005   1.169  -0.211  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.822   2.315  -0.202  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.210   2.163  -0.061  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.792   0.895   0.042  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.011  -0.255  -0.018  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.232   3.604  -0.363  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        1.066   4.796  -0.378  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.128   3.760  -0.569  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.686   4.838  -0.765  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.622  -0.100  -0.142  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.961   2.542  -0.519  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.255   0.164  -0.190  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -1.866  -0.482   0.494  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.283  -1.302  -0.066  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1       -3.696   0.139  -0.213  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1       -4.335   0.459   1.156  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -5.345  -0.671   0.870  0.00  0.00    +0.035 C 
BRANCH  15  20
ATOM     19  C   LIG    1       -3.831  -2.302  -2.228  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1       -4.801  -1.925  -1.260  0.00  0.00    -0.378 OA
ENDBRANCH  15  20
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1        2.540  -1.556   0.094  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.004  -2.240  -0.437  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.753  -2.027   0.649  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        4.422  -3.143   0.110  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        5.628  -3.524   0.684  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        6.554  -4.867   0.130  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        6.207  -2.895   1.731  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        5.553  -1.833   2.235  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.348  -1.369   1.733  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        3.878  -3.864  -0.995  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        3.377  -4.421  -1.882  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6