REMARK  Name = BDB062515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.846  -1.923   1.034  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.081  -0.999   0.600  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1       -0.235  -0.335  -0.099  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.605  -2.904   1.725  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -3.334   1.883   0.102  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.496   0.896   0.491  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -2.846  -0.481   0.289  0.00  0.00    +0.062 A 
ATOM      8  N   LIG    1       -4.114  -0.751  -0.245  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -4.307  -2.128  -0.271  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -3.143  -2.704   0.218  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -4.974   0.276  -0.651  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -2.199  -1.685   0.526  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -4.611   1.559  -0.507  0.00  0.00    +0.064 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.513  -2.809  -0.726  0.00  0.00    +0.177 C 
ATOM     15  O   LIG    1       -6.493  -2.230  -1.194  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -5.536  -4.317  -0.610  0.00  0.00    +0.093 C 
ENDBRANCH   9  14
BRANCH   5  18
ATOM     17  C   LIG    1       -1.931   3.682   0.826  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.141   3.236   0.225  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.450  -0.914   0.931  0.00  0.00    +0.071 A 
ATOM     20  C   LIG    1        2.189   0.096   0.291  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1        1.534   0.902  -0.566  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.555   0.289   0.541  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.188  -0.555   1.464  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        3.459  -1.562   2.108  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        2.095  -1.744   1.847  0.00  0.00    +0.037 A 
BRANCH  22  26
ATOM     26  C   LIG    1        4.318   1.335  -0.116  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.128   1.769  -1.412  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.059   2.742  -1.635  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        5.251   3.501  -2.847  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        5.858   2.967  -0.577  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.407   2.114   0.344  0.00  0.00    +0.143 A 
ENDBRANCH  22  26
BRANCH  24  32
ATOM     32  C   LIG    1        4.155  -2.436   3.076  0.00  0.00    +0.258 C 
ATOM     33  O   LIG    1        3.576  -3.321   3.691  0.00  0.00    -0.296 OA
ENDBRANCH  24  32
ENDBRANCH   2  19
TORSDOF 6