REMARK  Name = BDB056497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.967   1.419   1.613  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        1.229   0.848   2.412  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        2.003   2.049   0.947  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        1.928   2.709  -0.084  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.145   1.302   0.727  0.00  0.00    +0.105 A 
ATOM      6  C   LIG    1       -2.623   0.572   1.795  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -1.252   0.632   2.063  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.400   1.417   1.272  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -0.941   2.152   0.213  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -2.312   2.099  -0.060  0.00  0.00    +0.030 A 
BRANCH   5  11
ATOM     11  S   LIG    1       -4.882   1.247   0.374  0.00  0.00    +0.059 S 
ATOM     12  O   LIG    1       -5.544   0.479   1.405  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1       -5.301   2.588   0.032  0.00  0.00    -0.153 OA
BRANCH  11  14
ATOM     14  N   LIG    1       -4.919   0.363  -1.045  0.00  0.00    -0.187 NA
ATOM     15  H   LIG    1       -5.383   0.823  -1.826  0.00  0.00    +0.148 HD
BRANCH  14  17
ATOM     16  C   LIG    1       -3.904  -1.505  -2.205  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -4.777  -1.093  -1.025  0.00  0.00    +0.070 C 
ATOM     18  C   LIG    1       -6.157  -1.734  -1.117  0.00  0.00    +0.025 C 
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        3.336   1.843   1.627  0.00  0.00    +0.153 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.777   0.398   1.587  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        4.447  -0.144   0.380  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.845  -1.478   0.422  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        5.490  -2.066  -0.672  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        5.730  -1.311  -1.820  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.321   0.021  -1.873  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.566  -2.272   1.630  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        4.907  -3.446   1.720  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        3.896  -1.623   2.640  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        3.708  -2.158   3.483  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        4.679   0.608  -0.778  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        3.510  -0.320   2.639  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6