REMARK  Name = BDB014067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.070  -0.015   0.263  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.241   0.871   0.314  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.416   0.329  -0.529  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.854  -1.042  -0.199  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        1.722  -1.861   0.291  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.337  -1.390  -0.199  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.333  -1.884  -1.024  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.598  -0.699  -0.210  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.528   0.105   0.224  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.234  -0.329   0.054  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.234   0.408   0.427  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -1.444   1.626   1.006  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -0.677   2.179   1.341  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -2.681   2.132   1.241  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -2.841   3.221   1.785  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.806   1.293   0.800  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.192   1.814   1.030  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.252   0.727   0.875  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.948  -0.144  -0.335  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.962  -1.075   0.784  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.296  -0.536   0.279  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        5.627   0.734   0.610  0.00  0.00    -0.238 NA
ATOM     23  C   LIG    1        6.807   1.192   0.133  0.00  0.00    +0.134 A 
ATOM     24  C   LIG    1        7.657   0.444  -0.647  0.00  0.00    +0.077 A 
ATOM     25 CL   LIG    1        9.140   1.062  -1.231  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        7.234  -0.834  -0.925  0.00  0.00    +0.134 A 
ATOM     27  N   LIG    1        6.068  -1.350  -0.476  0.00  0.00    -0.238 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3