REMARK  Name = BDB011559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.135  -0.901  -0.681  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        1.251  -0.395   0.474  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.634   0.516   1.215  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.028  -0.967   0.566  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.358  -2.184  -0.125  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.580  -3.226  -0.277  0.00  0.00    +0.145 A 
ATOM      7  C   LIG    1        0.254  -4.425  -0.935  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1       -1.022  -4.564  -1.490  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -1.951  -3.533  -1.379  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.242  -5.552  -1.022  0.00  0.00    +0.047 C 
ATOM     11  O   LIG    1        1.800  -3.158   0.340  0.00  0.00    -0.488 OA
ATOM     12  C   LIG    1       -1.621  -2.356  -0.701  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.714  -2.269  -0.320  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        4.265   0.427  -0.473  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.075   0.137  -1.113  0.00  0.00    -0.300 N 
ATOM     16  H   LIG    1        2.643   0.997  -1.452  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1        4.874  -0.354   0.246  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.782   1.847  -0.830  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        5.787   2.321   0.219  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        3.939   4.032  -1.544  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        3.601   2.744  -0.958  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        3.210   2.886  -0.021  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1       -0.883  -0.547   1.695  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.263   0.004   1.355  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.424   1.242   0.653  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -3.731   1.679   0.324  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -3.928   2.878  -0.385  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -2.853   3.687  -0.765  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1       -1.564   3.276  -0.440  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.074   4.948  -1.544  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.838   0.919   0.712  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -4.682  -0.266   1.429  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -1.358   2.083   0.261  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -3.409  -0.728   1.756  0.00  0.00    +0.125 A 
BRANCH  34  35
ATOM     35  O   LIG    1       -3.176  -1.888   2.450  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1       -4.296  -2.665   2.851  0.00  0.00    +0.277 C 
ENDBRANCH  34  35
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6