REMARK  Name = BDB032857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.090   0.744   0.042  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.973   0.094   0.578  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.294   0.275   0.005  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1       -0.477   1.137  -1.082  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        0.646   1.773  -1.623  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.917   1.580  -1.063  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.562   1.061   0.337  0.00  0.00    +0.217 C 
ATOM      8  N   LIG    1        3.336   0.494   0.654  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        3.334  -0.179   1.411  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.763   1.932  -0.500  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        5.676   0.490   1.205  0.00  0.00    +0.096 C 
BRANCH  11  13
ATOM     12  C   LIG    1        7.557   0.279  -0.484  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        7.074   0.949   0.795  0.00  0.00    +0.006 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  C   LIG    1       -1.802   1.412  -1.712  0.00  0.00    +0.253 C 
ATOM     15  N   LIG    1       -2.872   1.396  -0.848  0.00  0.00    -0.261 N 
ATOM     16  H   LIG    1       -2.729   1.234   0.137  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1       -1.834   1.661  -2.911  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -4.157   1.614  -1.259  0.00  0.00    +0.167 A 
ATOM     19  S   LIG    1       -5.304   1.550   0.008  0.00  0.00    -0.028 S 
ATOM     20  C   LIG    1       -6.527   1.872  -1.131  0.00  0.00    +0.185 A 
ATOM     21  C   LIG    1       -5.998   2.005  -2.393  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1       -4.625   1.849  -2.458  0.00  0.00    -0.231 NA
BRANCH  20  23
ATOM     23  N   LIG    1       -7.899   1.974  -0.756  0.00  0.00    +0.065 N 
ATOM     24  O   LIG    1       -8.192   1.801   0.434  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -8.701   2.229  -1.663  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   4  14
BRANCH   3  26
ATOM     26  O   LIG    1       -1.395  -0.386   0.573  0.00  0.00    -0.425 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.393  -1.773   0.407  0.00  0.00    +0.312 C 
ATOM     28  O   LIG    1       -0.516  -2.431  -0.133  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  C   LIG    1       -2.678  -2.320   0.989  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.663  -3.838   1.156  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1       -1.760  -4.292   2.295  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 10