REMARK  Name = BDB003035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.497   1.199   0.323  0.00  0.00    -0.282 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -1.895  -3.471  -1.392  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -2.339  -2.392  -0.444  0.00  0.00    -0.049 A 
ATOM      4  C   LIG    1       -1.732  -1.124  -0.483  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -2.142  -0.073   0.364  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.195  -0.343   1.254  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.810  -1.600   1.298  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.384  -2.620   0.452  0.00  0.00    +0.003 A 
ENDBRANCH   1   5
BRANCH   1   9
ATOM      9  C   LIG    1       -0.166   1.374  -0.091  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        0.913   0.700   0.374  0.00  0.00    +0.230 A 
ATOM     11  N   LIG    1        2.146   1.013  -0.193  0.00  0.00    -0.240 N 
ATOM     12  C   LIG    1        2.053   1.995  -1.185  0.00  0.00    +0.300 A 
ATOM     13  O   LIG    1        2.915   2.508  -1.885  0.00  0.00    -0.259 OA
ATOM     14  S   LIG    1        0.369   2.531  -1.297  0.00  0.00    -0.007 S 
BRANCH  11  15
ATOM     15  C   LIG    1        3.418   0.458   0.181  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        4.469   0.359  -0.742  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.711  -0.177  -0.378  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.928  -0.620   0.922  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.907  -0.523   1.858  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.666   0.009   1.489  0.00  0.00    +0.026 A 
ENDBRANCH  11  15
BRANCH  10  21
ATOM     21  O   LIG    1        0.839  -0.285   1.330  0.00  0.00    -0.492 OA
ATOM     22  H   LIG    1       -0.095  -0.346   1.607  0.00  0.00    +0.294 HD
ENDBRANCH  10  21
ENDBRANCH   1   9
BRANCH   1  23
ATOM     23  C   LIG    1       -2.406   2.367   0.472  0.00  0.00    +0.207 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.521   2.382  -0.574  0.00  0.00    +0.228 C 
ATOM     25  O   LIG    1       -4.718   2.353  -0.280  0.00  0.00    -0.274 OA
ATOM     26  N   LIG    1       -3.117   2.458  -1.879  0.00  0.00    -0.328 N 
ATOM     27  H   LIG    1       -2.150   2.293  -2.139  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -3.828   2.389  -2.596  0.00  0.00    +0.145 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6