REMARK  Name = BDB049742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.552   0.025   0.305  0.00  0.00    +0.007 A 
ATOM      2  C   LIG    1        0.982   1.204  -0.195  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.404   1.327  -0.369  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.277   0.277  -0.051  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.708  -0.896   0.447  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.680  -1.023   0.623  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.556   0.937   0.511  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        6.278   1.421   0.210  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        5.151   0.601   0.418  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1        5.340  -0.684   0.923  0.00  0.00    +0.040 A 
ATOM     11  S   LIG    1        3.810  -1.452   1.074  0.00  0.00    -0.067 S 
ATOM     12  C   LIG    1        3.021  -0.045   0.467  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1        6.617  -1.181   1.230  0.00  0.00    +0.017 A 
ATOM     14  N   LIG    1        3.836   0.949   0.165  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1        7.720  -0.349   1.015  0.00  0.00    +0.001 A 
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  N   LIG    1       -2.653   0.466  -0.249  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -2.899   1.374  -0.617  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.771  -0.355  -0.040  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1       -5.072   0.108  -0.335  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -6.123  -0.766  -0.100  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1       -7.290  -0.141  -0.445  0.00  0.00    -0.346 N 
ATOM     22  H   LIG    1       -8.200  -0.570  -0.366  0.00  0.00    +0.167 HD
ATOM     23  C   LIG    1       -7.020   1.124  -0.901  0.00  0.00    +0.085 A 
ATOM     24  N   LIG    1       -6.046  -2.013   0.381  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -4.773  -2.357   0.628  0.00  0.00    +0.225 A 
ATOM     26  C   LIG    1       -5.654   1.308  -0.845  0.00  0.00    +0.032 A 
ATOM     27  N   LIG    1       -3.662  -1.618   0.450  0.00  0.00    -0.220 NA
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3