REMARK  Name = BDB050680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.485   0.570   0.423  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -2.137   1.604  -0.464  0.00  0.00    +0.156 A 
ATOM      3  C   LIG    1       -0.857   1.761  -0.987  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        0.128   0.822  -0.644  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        1.430   0.971  -1.189  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1        2.471  -0.040  -0.855  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.115  -1.121  -0.011  0.00  0.00    +0.047 A 
ATOM      8  N   LIG    1        0.828  -1.164   0.567  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.514  -2.107   0.818  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        3.060  -2.092   0.346  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        4.357  -2.031  -0.155  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.720  -0.989  -1.001  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.789  -0.003  -1.345  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.661   2.063  -2.032  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        0.622   2.935  -2.306  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -0.203  -0.255   0.217  0.00  0.00    +0.054 A 
ATOM     17  N   LIG    1       -0.623   2.804  -1.808  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1       -1.495  -0.363   0.796  0.00  0.00    -0.001 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1       -4.273   1.917   2.032  0.00  0.00    +0.090 C 
ATOM     20  S   LIG    1       -4.179   0.419   1.015  0.00  0.00    -0.125 S 
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  O   LIG    1       -3.086   2.530  -0.863  0.00  0.00    -0.504 OA
ATOM     22  H   LIG    1       -2.600   3.120  -1.479  0.00  0.00    +0.292 HD
ENDBRANCH   2  21
BRANCH  18  23
ATOM     23  C   LIG    1       -1.763  -1.479   1.786  0.00  0.00    +0.085 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.856  -2.810   1.091  0.00  0.00    +0.079 C 
ATOM     25  N   LIG    1       -0.824  -3.587   1.006  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -1.082  -4.434   0.479  0.00  0.00    +0.186 HD
ENDBRANCH  23  24
ENDBRANCH  18  23
TORSDOF 4