REMARK  Name = BDB057634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.794  -0.775  -0.278  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.027  -0.210  -0.646  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        3.083  -0.101   0.273  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.874  -0.601   1.567  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        3.902  -0.536   2.505  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        3.768  -0.890   3.443  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        5.137  -0.023   2.244  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        5.389   0.499   0.863  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        6.801   0.989   0.682  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        7.300   1.182  -1.051  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        5.799   1.996  -1.635  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        4.585   1.089  -1.448  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        5.998   0.014   3.118  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.657  -1.177   1.943  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        4.402   0.498  -0.063  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        0.616  -1.266   1.019  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        0.003  -0.801  -2.501  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -0.280  -0.853  -1.309  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1       -1.572  -0.948  -0.847  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.785  -0.698   0.113  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.701  -0.868  -1.754  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.021  -1.172  -1.023  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.150  -0.446   0.263  0.00  0.00    -0.297 NA
ATOM     24  C   LIG    1       -5.281  -0.975   1.062  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1       -6.668  -0.569   0.536  0.00  0.00    +0.175 C 
ATOM     26  O   LIG    1       -6.787   0.855   0.431  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -5.767   1.389  -0.420  0.00  0.00    +0.175 C 
ATOM     28  C   LIG    1       -4.363   1.010   0.083  0.00  0.00    +0.112 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  18
TORSDOF 4