REMARK  Name = BDB045104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.859  -1.474  -0.147  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -0.153  -1.190  -0.788  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1       -1.315  -0.522  -0.133  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1       -1.136  -0.084   1.324  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1       -2.454   0.396   1.893  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.604   0.556   1.087  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -3.577   0.255  -0.227  0.00  0.00    -0.315 N 
ATOM      8  H   LIG    1       -4.420   0.335  -0.797  0.00  0.00    +0.152 HD
ATOM      9  CA  LIG    1       -4.648   1.018   1.853  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1       -4.145   1.135   3.135  0.00  0.00    -0.354 N 
ATOM     11  H   LIG    1       -4.693   1.455   3.924  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -2.825   0.754   3.174  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1       -2.465  -0.330  -0.827  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -2.636  -0.765  -2.264  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1       -1.640  -1.842  -2.676  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -0.228  -1.460  -2.273  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -0.080   0.976   1.489  0.00  0.00    +0.118 A 
ATOM     18  O   LIG    1        1.136   0.548   1.934  0.00  0.00    -0.452 OA
ATOM     19  C   LIG    1        1.977   1.621   1.945  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        1.285   2.749   1.554  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -0.035   2.334   1.250  0.00  0.00    +0.047 A 
BRANCH  19  22
ATOM     22  S   LIG    1        3.652   1.466   2.388  0.00  0.00    -0.014 S 
BRANCH  22  23
ATOM     23  C   LIG    1        4.217   0.637   0.975  0.00  0.00    +0.175 A 
ATOM     24  N   LIG    1        3.512  -0.364   0.363  0.00  0.00    -0.333 N 
ATOM     25  H   LIG    1        2.587  -0.695   0.621  0.00  0.00    +0.168 HD
ATOM     26  C   LIG    1        4.263  -0.817  -0.694  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        5.418  -0.043  -0.650  0.00  0.00    +0.090 A 
ATOM     28  C   LIG    1        6.417  -0.255  -1.611  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        6.215  -1.241  -2.586  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.044  -2.003  -2.602  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.036  -1.807  -1.651  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1        5.377   0.848   0.394  0.00  0.00    -0.222 NA
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  17
BRANCH   9  33
ATOM     33  C   LIG    1       -5.992   1.322   1.472  0.00  0.00    +0.355 C 
ATOM     34  O   LIG    1       -6.501   1.229   0.365  0.00  0.00    -0.243 OA
BRANCH  33  35
ATOM     35  OXT LIG    1       -6.711   1.756   2.530  0.00  0.00    -0.476 OA
ATOM     36  HXT LIG    1       -7.593   1.926   2.139  0.00  0.00    +0.295 HD
ENDBRANCH  33  35
ENDBRANCH   9  33
TORSDOF 5