REMARK  Name = BDB012208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.642   1.849  -0.724  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        0.324   2.637  -1.273  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.312   1.059  -0.115  0.00  0.00    +0.213 C 
ATOM      4  O   LIG    1       -0.073  -0.036   0.381  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.640   0.791  -1.813  0.00  0.00    +0.174 C 
ATOM      6  C   LIG    1        4.202   2.254  -1.928  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        2.966   2.572  -1.077  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        2.009   1.381  -0.916  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1        2.106   0.434  -2.114  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1        3.515  -0.151  -2.275  0.00  0.00    +0.046 C 
BRANCH   5  11
ATOM     11  O   LIG    1        4.952   0.563  -0.432  0.00  0.00    -0.489 OA
BRANCH  11  17
ATOM     12  C   LIG    1        7.159  -1.329   1.742  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1        7.718  -2.266   0.869  0.00  0.00    +0.059 A 
ATOM     14 CL   LIG    1        8.868  -3.444   1.393  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        7.348  -2.270  -0.478  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        6.423  -1.338  -0.962  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        5.866  -0.395  -0.101  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        6.232  -0.400   1.249  0.00  0.00    +0.066 A 
BRANCH  12  20
ATOM     19  N   LIG    1        7.774  -1.223   4.260  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        7.507  -1.285   3.132  0.00  0.00    +0.101 C 
ENDBRANCH  12  20
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -1.686   1.702  -0.102  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.751   0.774   0.476  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.111   1.463   0.544  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.189   0.493   0.966  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -5.168   0.102   2.277  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -4.466   0.447   2.915  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -6.078  -0.773   2.814  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -6.048  -1.099   3.995  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.092  -1.287   1.880  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.035  -0.837   0.558  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.986  -1.311  -0.349  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -8.972  -2.214   0.061  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.015  -2.654   1.385  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -8.073  -2.191   2.302  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -6.060   0.070   0.109  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8