REMARK  Name = BDB060570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253  -1.846   2.168  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.194  -1.118   2.193  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        0.164  -1.923   2.701  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        0.470  -2.824   3.736  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.763  -2.903   4.257  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.767  -2.076   3.760  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.482  -1.178   2.733  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        0.909  -0.216   1.202  0.00  0.00    -0.488 OA
BRANCH   8   9
ATOM      9  C   LIG    1        1.583  -0.527  -0.027  0.00  0.00    +0.256 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.669  -0.776  -0.604  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        3.869   0.499  -0.598  0.00  0.00    -0.073 C 
ATOM     12  C   LIG    1        2.549   0.581  -0.336  0.00  0.00    +0.012 C 
BRANCH  11  13
ATOM     13  C   LIG    1        4.666   1.761  -0.880  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.040   1.899  -2.355  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.783   3.180  -2.607  0.00  0.00    +0.305 C 
ATOM     16  O   LIG    1        6.162   3.995  -1.784  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.030   3.368  -3.919  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        6.512   4.221  -3.951  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       -1.438  -2.358   0.765  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.162  -1.840  -0.301  0.00  0.00    +0.082 A 
ATOM     21  N   LIG    1       -2.171  -2.621  -1.448  0.00  0.00    -0.244 NA
ATOM     22  C   LIG    1       -1.458  -3.707  -1.263  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1       -1.244  -4.757  -2.295  0.00  0.00    +0.073 C 
ATOM     24  S   LIG    1       -0.772  -3.881   0.295  0.00  0.00    -0.076 S 
BRANCH  20  25
ATOM     25  C   LIG    1       -2.943  -0.611  -0.275  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.290  -0.653  -0.650  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.069   0.511  -0.648  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.517   1.746  -0.280  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -3.161   1.782   0.077  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -2.380   0.619   0.074  0.00  0.00    +0.011 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.336   2.957  -0.278  0.00  0.00    +0.135 A 
ATOM     32  O   LIG    1       -4.719   4.109   0.129  0.00  0.00    -0.463 OA
ATOM     33  C   LIG    1       -5.634   5.109   0.062  0.00  0.00    +0.196 A 
ATOM     34  C   LIG    1       -6.840   4.626  -0.383  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -6.650   3.239  -0.603  0.00  0.00    +0.050 A 
ENDBRANCH  28  31
ENDBRANCH  20  25
ENDBRANCH   1  19
TORSDOF 11