REMARK  Name = BDB032942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.282  -2.197   0.418  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        2.817  -0.920   0.073  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.451  -0.641  -0.159  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1        0.529  -1.692   0.004  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.972  -2.971   0.363  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.330  -3.209   0.584  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.066   0.717  -0.582  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        1.307   1.824   0.249  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        0.926   3.110  -0.142  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.303   3.309  -1.371  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        0.064   2.225  -2.212  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        0.446   0.940  -1.823  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -0.940  -1.530  -0.177  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1       -1.491  -0.509   0.558  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1       -0.902   0.059   1.151  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -1.510  -2.329  -0.909  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.802  -0.113   0.575  0.00  0.00    +0.165 A 
ATOM     18  S   LIG    1       -4.010  -0.853  -0.364  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1       -5.181   0.239   0.262  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1       -4.549   1.085   1.156  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1       -3.193   0.884   1.334  0.00  0.00    -0.232 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -6.593   0.175  -0.133  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -6.979  -0.106  -1.453  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -8.330  -0.150  -1.810  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -9.314   0.088  -0.854  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.949   0.371   0.460  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.598   0.416   0.817  0.00  0.00    +0.009 A 
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  28
ATOM     28  N   LIG    1        4.612  -2.486   0.723  0.00  0.00    -0.344 N 
ATOM     29  H   LIG    1        4.833  -3.471   0.594  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.704  -1.604   0.319  0.00  0.00    +0.101 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.029  -0.615   1.440  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.934   1.273  -0.014  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        7.216   0.294   1.116  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 8