REMARK  Name = BDB060569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.556  -1.549   1.344  0.00  0.00    +0.079 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.102   0.387   1.549  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        0.227  -0.081   1.520  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        1.278   0.845   1.669  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.020   2.207   1.806  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.292   2.664   1.799  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.348   1.760   1.670  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -2.076  -0.570   1.440  0.00  0.00    -0.488 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.441  -0.213   1.679  0.00  0.00    +0.256 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -6.454  -0.372   1.063  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -5.409   0.097   0.079  0.00  0.00    -0.073 C 
ATOM     12  C   LIG    1       -4.097   0.183   0.384  0.00  0.00    +0.012 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.992   0.474  -1.276  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.005   0.765  -2.409  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.729   1.069  -3.691  0.00  0.00    +0.305 C 
ATOM     16  O   LIG    1       -6.925   1.248  -3.845  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.884   1.154  -4.737  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1       -5.463   1.358  -5.501  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1        0.639  -1.806  -0.124  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -0.334  -2.350  -0.942  0.00  0.00    +0.138 A 
ATOM     21  C   LIG    1       -1.704  -2.854  -0.734  0.00  0.00    +0.089 C 
ATOM     22  O   LIG    1        0.118  -2.402  -2.219  0.00  0.00    -0.359 OA
ATOM     23  N   LIG    1        1.403  -1.916  -2.276  0.00  0.00    -0.078 NA
ATOM     24  C   LIG    1        1.734  -1.579  -1.021  0.00  0.00    +0.117 A 
BRANCH  24  25
ATOM     25  C   LIG    1        3.061  -1.051  -0.733  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.522   0.086  -1.405  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        4.787   0.613  -1.122  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.620   0.014  -0.166  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.154  -1.136   0.490  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        3.890  -1.667   0.209  0.00  0.00    +0.011 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.937   0.574   0.129  0.00  0.00    +0.135 A 
ATOM     32  O   LIG    1        7.651  -0.038   1.124  0.00  0.00    -0.463 OA
ATOM     33  C   LIG    1        8.830   0.623   1.248  0.00  0.00    +0.196 A 
ATOM     34  C   LIG    1        8.894   1.660   0.350  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        7.677   1.629  -0.374  0.00  0.00    +0.050 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   1  19
TORSDOF 11