REMARK  Name = BDB003360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.766  -1.002   1.438  0.00  0.00    +0.156 A 
ATOM      2  C   LIG    1       -2.603  -1.970   2.104  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -3.946  -2.156   1.673  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -4.599  -3.134   2.398  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1       -3.588  -3.793   3.611  0.00  0.00    -0.081 S 
ATOM      6  C   LIG    1       -4.503  -1.364   0.583  0.00  0.00    +0.282 A 
ATOM      7  O   LIG    1       -5.686  -1.483   0.273  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1       -3.566  -0.472  -0.012  0.00  0.00    -0.196 N 
ATOM      9  C   LIG    1       -2.275  -2.799   3.154  0.00  0.00    +0.058 A 
ATOM     10  N   LIG    1       -2.243  -0.314   0.436  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.879   0.376  -1.137  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1       -5.029   0.210  -1.923  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -5.296   1.049  -3.014  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.416   2.073  -3.346  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.267   2.259  -2.589  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.002   1.419  -1.501  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
BRANCH   1  19
ATOM     17  N   LIG    1        0.444  -0.339   0.717  0.00  0.00    -0.202 N 
ATOM     18  H   LIG    1       -0.029  -0.186  -0.170  0.00  0.00    +0.178 HD
ATOM     19  C   LIG    1       -0.305  -0.745   1.809  0.00  0.00    +0.284 C 
ATOM     20  O   LIG    1        0.076  -0.903   2.958  0.00  0.00    -0.267 OA
BRANCH  17  22
ATOM     21  C   LIG    1        2.365   0.348  -0.222  0.00  0.00    +0.138 C 
ATOM     22  N   LIG    1        1.768  -0.060   0.853  0.00  0.00    -0.187 NA
BRANCH  21  26
ATOM     23  C   LIG    1        6.521   1.353  -0.281  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        5.744   1.448  -1.441  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.386   1.119  -1.421  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        3.800   0.692  -0.230  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        4.568   0.594   0.934  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.927   0.925   0.907  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        8.666   1.626   0.705  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        7.832   1.706  -0.445  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  21  26
ENDBRANCH  17  22
ENDBRANCH   1  19
BRANCH   4  31
ATOM     31  N   LIG    1       -5.863  -3.579   2.241  0.00  0.00    -0.352 N 
ATOM     32  H   LIG    1       -6.312  -4.081   3.000  0.00  0.00    +0.143 HD
ATOM     33  H   LIG    1       -6.506  -3.032   1.665  0.00  0.00    +0.143 HD
ENDBRANCH   4  31
TORSDOF 6