REMARK  Name = BDB064400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.091  -0.384  -0.861  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -1.012  -1.344  -0.534  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.053   0.238  -1.307  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        0.165   1.458  -1.385  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -6.240   1.014   0.224  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -5.026   0.883   0.106  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.355  -0.106   0.779  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.947  -0.748   1.291  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.095  -0.566   0.489  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.717  -1.676   0.866  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.198   0.385  -0.308  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.029   1.064  -1.391  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.190   1.807  -0.749  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.180  -0.711  -1.674  0.00  0.00    +0.131 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.133  -0.931  -0.525  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1        2.991   0.098  -0.112  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.861  -0.115   0.961  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        3.881  -1.333   1.643  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        3.028  -2.355   1.235  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.159  -2.157   0.158  0.00  0.00    +0.004 A 
BRANCH  17  21
ATOM     21  S   LIG    1        4.914   1.198   1.500  0.00  0.00    +0.147 S 
ATOM     22  F   LIG    1        4.272   2.553   0.966  0.00  0.00    -0.056 F 
ATOM     23  O   LIG    1        6.176   1.056   0.804  0.00  0.00    -0.138 OA
ATOM     24  O   LIG    1        4.825   1.274   2.944  0.00  0.00    -0.138 OA
ENDBRANCH  17  21
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 4