REMARK  Name = BDB033730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.455   1.640   0.768  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.117   1.026   1.230  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1       -3.348   0.699   2.188  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1       -2.578   1.644   3.042  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1       -1.107   1.706   2.630  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1       -0.952   1.482   1.125  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1       -1.479   0.091   0.732  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -2.536  -0.435   1.699  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1       -4.872   0.284   2.830  0.00  0.00    +0.064 S 
ATOM     10  O   LIG    1       -5.542   1.499   3.236  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1       -4.692  -0.835   3.727  0.00  0.00    -0.153 OA
BRANCH   9  16
ATOM     12  C   LIG    1       -7.401  -0.456  -1.678  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1       -6.878  -0.601  -0.341  0.00  0.00    -0.273 N 
ATOM     14  N   LIG    1       -7.234  -1.671   0.397  0.00  0.00    -0.178 NA
ATOM     15  C   LIG    1       -6.604  -1.479   1.562  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -5.836  -0.309   1.551  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1       -6.024   0.243   0.303  0.00  0.00    +0.136 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.776   1.664  -0.576  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1        1.998   1.220  -0.887  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1        2.336   1.220  -2.194  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1        1.497   1.630  -3.202  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        0.264   2.058  -2.780  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -0.114   2.085  -1.485  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1        1.845   1.602  -4.579  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1        2.081   1.581  -5.715  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1        3.595   0.765  -2.545  0.00  0.00    -0.472 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.469   0.373  -1.463  0.00  0.00    +0.176 C 
ATOM     28  C   LIG    1        4.188  -1.010  -0.798  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        5.678  -1.249  -0.852  0.00  0.00    -0.023 C 
ATOM     30  C   LIG    1        6.466  -1.127   0.434  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        6.489  -2.678   0.454  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        6.191  -2.650  -1.068  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        5.846  -0.201  -1.917  0.00  0.00    +0.051 C 
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 7