REMARK  Name = BDB026691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.244  -2.308   0.354  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.031  -2.945   0.057  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.849  -2.190   0.057  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.574  -2.607  -0.184  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.196  -1.542  -0.063  0.00  0.00    +0.149 A 
ATOM      6  N   LIG    1        0.560  -0.412   0.265  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.889  -0.827   0.339  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        3.090  -0.186   0.691  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.265  -0.949   0.685  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.079   0.913   0.478  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.119   1.127   1.174  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.606   2.428   1.355  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -2.835   2.689   2.182  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -3.549   3.949   1.720  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -2.597   5.109   1.545  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.357   4.811   1.045  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -0.779   5.607   0.807  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -2.935   6.274   1.743  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -0.881   3.512   0.852  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        0.323   3.309   0.181  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.801   2.010  -0.013  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.627  -1.559  -0.368  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -2.515  -2.280   0.431  0.00  0.00    +0.134 A 
ATOM     24  F   LIG    1       -2.082  -2.926   1.524  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.876  -2.310   0.141  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -4.370  -1.617  -0.967  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -3.497  -0.897  -1.785  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1       -2.130  -0.875  -1.484  0.00  0.00    +0.060 A 
BRANCH  27  29
ATOM     29  O   LIG    1       -3.845  -0.177  -2.894  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1       -5.213  -0.211  -3.282  0.00  0.00    +0.277 C 
ENDBRANCH  27  29
ENDBRANCH   5  22
BRANCH   1  34
ATOM     31  C   LIG    1        7.884  -3.196  -0.136  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        6.651  -2.465   0.019  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        6.582  -1.562  -0.428  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        5.486  -3.129   0.348  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        5.436  -4.328   0.594  0.00  0.00    -0.270 OA
ENDBRANCH   1  34
TORSDOF 4