REMARK  Name = BDB058897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.853   0.000   1.445  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.233   0.309   2.740  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.842   1.113   3.226  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.494  -0.775   0.741  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.385   0.488  -0.440  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.212  -0.078   0.084  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.376   0.655   0.939  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.690   1.979   1.259  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.852   2.555   0.747  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.692   1.814  -0.089  0.00  0.00    +0.008 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.578  -2.295  -1.811  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -3.743  -1.552  -0.968  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1       -3.264  -0.283  -1.336  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -3.648   0.225  -2.586  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.479  -0.510  -3.435  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.942  -1.769  -3.049  0.00  0.00    +0.045 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.842  -4.287  -2.106  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -4.960  -3.508  -1.308  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        2.694  -0.008   3.085  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        3.035  -0.792   2.509  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.748   1.346   2.959  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        2.982   2.454   2.420  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        4.454   1.467   4.216  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.894   0.796   1.723  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        6.145   0.303   2.104  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.042  -0.121   1.123  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.689  -0.047  -0.226  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.441   0.453  -0.600  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.540   0.883   0.373  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6