REMARK  Name = BDB033821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.943  -0.933   1.697  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1       -1.518  -0.272   0.839  0.00  0.00    +0.201 A 
ATOM      3  C   LIG    1       -2.977  -0.371   0.701  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -3.603   0.373  -0.286  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1       -4.987   0.285  -0.420  0.00  0.00    +0.202 A 
ATOM      6  C   LIG    1       -5.733  -0.539   0.424  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -5.109  -1.288   1.415  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1       -2.917   1.192  -1.138  0.00  0.00    -0.446 OA
ATOM      9  C   LIG    1       -1.538   1.306  -1.017  0.00  0.00    +0.220 A 
ATOM     10  C   LIG    1       -3.721  -1.203   1.554  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.797   0.652  -0.094  0.00  0.00    +0.079 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.617   0.790   0.068  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.544  -0.225   0.021  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        2.782   0.341   0.249  0.00  0.00    -0.239 N 
ATOM     15  N   LIG    1        2.679   1.686   0.422  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        1.375   1.945   0.328  0.00  0.00    +0.143 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.048  -0.308   0.308  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        4.164  -1.696   0.145  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.422  -2.306   0.208  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        6.562  -1.536   0.432  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        8.104  -2.293   0.508  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        6.458  -0.157   0.597  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        5.204   0.458   0.535  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  11  12
BRANCH   9  24
ATOM     24  C   LIG    1       -0.949   2.222  -2.055  0.00  0.00    +0.451 C 
ATOM     25  F   LIG    1        0.203   1.743  -2.591  0.00  0.00    -0.163 F 
ATOM     26  F   LIG    1       -0.669   3.444  -1.532  0.00  0.00    -0.163 F 
ATOM     27  F   LIG    1       -1.790   2.431  -3.102  0.00  0.00    -0.163 F 
ENDBRANCH   9  24
BRANCH   6  28
ATOM     28  O   LIG    1       -7.087  -0.578   0.237  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1       -7.474  -1.185   0.892  0.00  0.00    +0.292 HD
ENDBRANCH   6  28
BRANCH   5  30
ATOM     30  O   LIG    1       -5.636   1.008  -1.385  0.00  0.00    -0.501 OA
ATOM     31  H   LIG    1       -6.582   0.781  -1.281  0.00  0.00    +0.292 HD
ENDBRANCH   5  30
TORSDOF 5