REMARK  Name = BDB012106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.244   0.569   0.770  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -1.355  -0.481   1.017  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1       -1.721  -1.801   1.634  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        0.004  -0.166   0.595  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.066   1.109   0.066  0.00  0.00    +0.058 A 
ATOM      6  S   LIG    1       -1.425   1.920   0.093  0.00  0.00    -0.099 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.158  -1.076   0.675  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.390  -0.459   0.677  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.417   0.520   0.933  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.031  -2.294   0.754  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.595  -1.210   0.946  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.752  -0.541   0.266  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.291   0.665   0.975  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        4.756   1.116   1.984  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.400   1.256   0.428  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.750   2.067   0.925  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.015   0.837  -0.726  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.209   1.614  -1.185  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.521  -0.225  -1.377  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.357  -0.943  -0.874  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        4.921  -2.107  -1.722  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -3.750   0.632   1.052  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.623   0.266  -0.085  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1       -4.550   1.144  -1.264  0.00  0.00    +0.113 C 
ATOM     25  C   LIG    1       -5.601   0.736  -2.311  0.00  0.00    +0.175 C 
ATOM     26  O   LIG    1       -5.427  -0.627  -2.721  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -5.518  -1.497  -1.585  0.00  0.00    +0.175 C 
ATOM     28  C   LIG    1       -4.473  -1.137  -0.516  0.00  0.00    +0.113 C 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -5.614   1.944   2.231  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -4.175   1.963   1.726  0.00  0.00    +0.021 C 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 6