REMARK  Name = BDB050218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.662   0.610  -0.447  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        1.519  -0.418  -0.166  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        2.334   0.082   0.839  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        3.328  -0.778   1.346  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        3.415  -2.025   0.812  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        2.552  -2.377  -0.166  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1        2.007   1.393   1.139  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        1.573  -1.639  -0.724  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1        1.010   1.683   0.327  0.00  0.00    +0.202 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.443   0.353  -1.871  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -1.312  -0.616  -1.455  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -0.354   0.604  -1.508  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -1.604   1.473  -1.210  0.00  0.00    +0.047 C 
BRANCH  10  15
ATOM     14  C   LIG    1       -4.802   0.960  -1.306  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1       -3.730   0.092  -1.228  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -3.924  -0.772  -0.723  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -4.770   2.037  -1.891  0.00  0.00    -0.269 OA
BRANCH  14  21
ATOM     18  C   LIG    1       -6.929  -2.533   1.327  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -7.029  -1.198   0.651  0.00  0.00    +0.039 A 
ATOM     20  N   LIG    1       -5.929  -0.742   0.007  0.00  0.00    -0.247 NA
ATOM     21  C   LIG    1       -6.032   0.475  -0.603  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1       -7.181   1.252  -0.599  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -8.296   0.760   0.068  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -8.222  -0.479   0.702  0.00  0.00    +0.023 A 
ENDBRANCH  14  21
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   4  25
ATOM     25  N   LIG    1        4.184  -0.367   2.371  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        4.119   0.643   2.481  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.540  -0.882   2.326  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.386  -0.097   1.350  0.00  0.00    -0.029 A 
ATOM     29  C   LIG    1        6.952   1.132   1.724  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        7.713   1.860   0.810  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        8.405   3.363   1.282  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        7.916   1.382  -0.483  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.351   0.167  -0.867  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        6.589  -0.567   0.043  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 6