REMARK  Name = BDB011498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.006  -0.968  -0.732  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        1.033  -1.070   0.427  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.430  -0.768   1.563  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.283  -1.470   0.184  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -0.749  -2.260  -0.957  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.016  -2.704  -2.062  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -0.589  -3.397  -3.137  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.934  -3.727  -3.136  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.694  -3.372  -2.043  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1        1.351  -2.580  -2.325  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -2.106  -2.665  -0.984  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.210  -2.374  -1.224  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.436   1.000  -0.325  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.253  -0.368  -0.237  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        3.626  -0.795   0.604  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        2.703   1.737  -0.983  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.621   1.537   0.511  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.050   2.107   1.809  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.456   3.161   0.378  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.359   2.510  -0.315  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.695   3.204  -0.667  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.221  -1.135   1.291  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.375  -0.173   0.974  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.182   1.091   0.324  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -3.320   1.871  -0.009  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -3.183   3.093  -0.692  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -1.929   3.587  -1.036  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -0.798   2.871  -0.680  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.597   1.438   0.354  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -4.777   0.258   1.069  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -0.927   1.655  -0.003  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -3.682  -0.538   1.397  0.00  0.00    +0.125 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -3.787  -1.710   2.107  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -5.043  -2.017   2.699  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6