REMARK  Name = BDB048282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.627  -1.589  -0.559  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        0.424  -1.210  -0.282  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -0.652  -2.028  -0.494  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.485  -3.344  -1.078  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -1.902  -1.532  -0.197  0.00  0.00    +0.235 C 
ATOM      6  O   LIG    1       -2.953  -2.130  -0.407  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.839  -0.152   0.435  0.00  0.00    +0.145 C 
ATOM      8  S   LIG    1       -0.083   0.322   0.372  0.00  0.00    -0.077 S 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.927   0.952   0.093  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        4.257   0.958  -1.137  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.160   0.119  -1.349  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.711  -0.729  -0.335  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        3.394  -0.758   0.882  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        4.492   0.080   1.099  0.00  0.00    +0.006 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.420   1.162  -0.087  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        6.122   1.843   0.317  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   7  17
ATOM     17  C   LIG    1       -2.698   0.867  -0.319  0.00  0.00    +0.059 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.117   0.923   0.198  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1       -5.134   0.176  -0.403  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -6.421   0.238   0.115  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -6.750   1.006   1.166  0.00  0.00    -0.241 NA
ATOM     22  C   LIG    1       -5.760   1.726   1.735  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -4.444   1.716   1.299  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  N   LIG    1       -7.454  -0.489  -0.473  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -7.216  -1.472  -0.534  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -8.281  -0.333   0.098  0.00  0.00    +0.144 HD
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5