REMARK  Name = BDB021323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.523  -0.872   0.240  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.612   0.189   0.524  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.679  -0.168   0.857  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.356   0.991   1.153  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.454   2.003   0.925  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.110  -1.504   0.903  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.261  -2.471   0.691  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.767   1.500   0.543  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.035  -2.127   0.365  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.603  -0.221  -0.737  0.00  0.00    +0.148 A 
ATOM     11  N   LIG    1        5.045   0.493   0.273  0.00  0.00    -0.248 NA
ATOM     12  C   LIG    1        3.737   0.259   0.542  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.944  -0.676  -0.125  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.553  -1.386  -1.167  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.895  -1.161  -1.478  0.00  0.00    +0.035 A 
BRANCH  10  16
ATOM     16  C   LIG    1        7.042   0.016  -1.067  0.00  0.00    +0.357 C 
ATOM     17  O   LIG    1        7.637  -0.581  -1.954  0.00  0.00    -0.243 OA
BRANCH  16  19
ATOM     18  C   LIG    1        8.948   1.252  -0.512  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        7.575   0.965  -0.255  0.00  0.00    -0.463 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -0.680   3.409   1.068  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -0.896   4.543   1.196  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.425  -1.803   1.208  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.392  -2.714   1.667  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.343  -1.996   0.076  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.852  -0.693  -0.461  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.840   0.047   0.182  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.621  -0.256   1.405  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.248   1.118   1.646  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.267   1.851   0.400  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.284   1.254  -0.344  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -4.778   1.780  -1.515  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -3.778   1.063  -2.170  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -3.327  -0.155  -1.644  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -2.358  -0.813  -2.295  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7