REMARK  Name = BDB020868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.327  -0.390   0.105  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.606  -1.480   0.684  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.258  -1.556   0.428  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.185  -2.652   1.110  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.819  -3.228   1.730  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.434  -0.632  -0.365  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.222   0.373  -0.877  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.948  -2.486   1.466  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.577   0.465  -0.629  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.287   2.708   0.868  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        5.667   1.326   1.022  0.00  0.00    +0.120 C 
ATOM     12  O   LIG    1        6.536   0.377   0.399  0.00  0.00    -0.372 OA
ATOM     13  C   LIG    1        6.123  -0.967   0.659  0.00  0.00    +0.188 C 
ATOM     14  C   LIG    1        4.651  -1.170   0.455  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        3.770  -0.163   0.291  0.00  0.00    -0.035 C 
ATOM     16  C   LIG    1        4.289   1.260   0.346  0.00  0.00    +0.067 C 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.787  -0.806  -0.573  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.152  -1.749  -0.502  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.498  -0.006  -1.557  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.975  -0.215  -1.392  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.686   0.315  -0.319  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.211   1.099   0.847  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.559   1.560   1.401  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.590   0.653   0.946  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -6.047   0.079  -0.173  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.762  -0.687  -1.071  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -6.073  -1.223  -2.160  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.700  -0.986  -2.310  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -4.069  -1.536  -3.357  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4