REMARK  Name = BDB023036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.401   1.384  -0.222  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.220   0.811  -1.498  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.420   0.033  -0.978  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.830   0.881   0.224  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.577   1.267   0.841  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.194  -0.544   0.038  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        5.181   0.148  -0.384  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.804   0.083   0.117  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.120  -0.666   1.110  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.794  -0.272   1.102  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.637   0.704   0.145  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.852   0.903  -0.448  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        3.148   1.749  -1.451  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        2.482   2.364  -1.909  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        4.454   1.758  -1.878  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        5.431   1.041  -1.421  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        7.080  -2.109   1.447  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        5.889  -1.426   1.081  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.663   1.879  -2.356  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -1.414   1.496  -2.859  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.408  -0.049  -2.002  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -3.069  -0.709  -1.719  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.704   0.167   1.272  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.079  -0.222   0.764  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1       -4.455  -1.565   0.597  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.726  -1.891   0.126  0.00  0.00    +0.142 A 
ATOM     27  F   LIG    1       -6.042  -3.186  -0.027  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -6.645  -0.894  -0.185  0.00  0.00    +0.076 A 
ATOM     29 CL   LIG    1       -8.212  -1.291  -0.774  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1       -6.292   0.444  -0.021  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.018   0.777   0.453  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.007  -0.980   1.766  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -1.238  -0.627   2.252  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7