REMARK  Name = BDB007106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.041   0.246   1.999  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.472  -0.535   3.017  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.928  -0.667   3.100  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        1.787  -1.385   3.981  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.083  -1.166   3.575  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        3.037  -0.314   2.500  0.00  0.00    -0.218 N 
ATOM      7  C   LIG    1        1.732  -0.000   2.166  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        1.175   0.796   1.150  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -0.219   0.912   1.086  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -3.082   0.619   0.717  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.509   0.534  -0.111  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -2.527   0.353   1.950  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -3.190   0.174   2.965  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.526   0.666   0.521  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.827   0.436  -0.953  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -4.498   1.389  -1.931  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.766   1.147  -3.279  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.358  -0.052  -3.669  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.680  -1.011  -2.712  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.414  -0.771  -1.363  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  22
ATOM     21  C   LIG    1       -6.641   2.012   1.025  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -5.118   1.981   1.069  0.00  0.00    +0.024 C 
ENDBRANCH  14  22
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  S   LIG    1        4.414   0.129   1.596  0.00  0.00    +0.085 S 
ATOM     24  O   LIG    1        4.182   1.515   1.235  0.00  0.00    -0.148 OA
ATOM     25  O   LIG    1        5.555  -0.280   2.393  0.00  0.00    -0.148 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.413  -0.860   0.114  0.00  0.00    +0.119 A 
ATOM     27  C   LIG    1        5.260  -0.495  -0.974  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        5.203  -1.293  -2.147  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1        6.004  -0.981  -3.258  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        6.875   0.104  -3.236  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.960   0.891  -2.098  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.349  -2.404  -2.204  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1        3.553  -2.757  -1.119  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        6.168   0.596  -0.985  0.00  0.00    +0.010 A 
ATOM     35  C   LIG    1        3.586  -1.992   0.041  0.00  0.00    +0.029 A 
ENDBRANCH  23  26
ENDBRANCH   6  23
TORSDOF 6