REMARK  Name = BDB060207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.881  -0.577  -0.272  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.348  -0.788   1.027  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.000  -0.600   2.237  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.316  -0.864   3.425  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.006  -1.327   3.394  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.654  -1.552   2.176  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        0.040  -1.292   1.002  0.00  0.00    -0.002 A 
ATOM      8  C   LIG    1       -0.357  -1.518  -0.417  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        0.709  -0.708  -1.169  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.499   1.000  -2.407  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        3.532   0.113  -1.921  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        2.855   0.342  -0.711  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.176   1.502   0.002  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        4.142   2.394  -0.471  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.807   2.141  -1.671  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.060   1.497  -4.129  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.056   0.638  -3.603  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -2.004  -2.022   2.180  0.00  0.00    -0.192 N 
BRANCH  18  19
ATOM     19  S   LIG    1       -3.245  -0.951   2.575  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.892  -0.219   3.772  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.483  -1.712   2.524  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.244   0.203   1.222  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -4.117   0.037   0.146  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -4.090   0.951  -0.911  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.205   2.035  -0.894  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -3.188   3.028  -2.018  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -2.367   2.217   0.215  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.389   1.308   1.273  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH  18  19
BRANCH  18  29
ATOM     29  C   LIG    1       -2.308  -3.374   1.686  0.00  0.00    +0.251 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.127  -3.477   0.421  0.00  0.00    +0.324 C 
ATOM     31  O   LIG    1       -2.646  -3.701  -0.682  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.460  -3.315   0.585  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -4.722  -3.010   1.491  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  18  29
ENDBRANCH   6  18
TORSDOF 8