REMARK  Name = BDB034965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.312  -1.010  -1.857  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.662  -0.370  -0.663  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.317  -0.003  -0.709  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -0.792   0.590   0.459  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.544   0.959   0.426  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.335   0.755  -0.711  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1        0.718   0.166  -1.803  0.00  0.00    +0.115 A 
ATOM      8  N   LIG    1       -1.508   0.811   1.579  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -2.796   0.449   1.595  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.577  -0.212  -1.823  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.408  -0.142   0.501  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -3.523   0.684   2.765  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.312   1.290   2.564  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -3.879  -0.193   3.130  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        2.783   1.152  -0.750  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.526   0.092  -0.003  0.00  0.00    +0.053 A 
ATOM     17  N   LIG    1        3.908   0.347   1.308  0.00  0.00    -0.252 NA
ATOM     18  C   LIG    1        4.539  -0.696   1.800  0.00  0.00    +0.156 A 
ATOM     19  S   LIG    1        4.744  -2.024   0.737  0.00  0.00    -0.084 S 
ATOM     20  C   LIG    1        3.916  -1.147  -0.482  0.00  0.00    +0.070 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3