REMARK  Name = BDB012211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.037  -0.941   0.506  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.183  -0.936  -0.381  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.004  -1.591  -0.172  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.058  -1.980   0.763  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.220  -1.505  -0.964  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1       -2.030  -0.250  -0.587  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1       -3.083  -0.551   0.479  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -4.110  -1.590  -0.005  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1       -3.514  -2.559  -1.042  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -2.031  -2.801  -0.802  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.207  -0.937  -0.657  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.281  -0.538   0.088  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1       -7.391  -0.141  -0.663  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -8.551   0.296  -0.027  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1       -9.912   0.776  -0.964  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -8.615   0.348   1.363  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -7.508  -0.037   2.117  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -6.342  -0.477   1.481  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.384  -0.227  -1.709  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.774   0.402  -1.837  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.975   1.601  -0.902  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.273   1.498  -0.134  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1        4.330   0.521   0.824  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.540  -0.110   0.960  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        5.438   0.287   1.597  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1        5.487  -0.603   2.438  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.581   1.183   1.348  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1        6.434   2.155   0.354  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1        7.505   3.014   0.098  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        8.697   2.901   0.822  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        8.828   1.926   1.811  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.768   1.060   2.078  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1        5.254   2.300  -0.396  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7