REMARK  Name = BDB046837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.360  -0.571  -0.953  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.942  -0.903  -0.026  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1        2.442  -1.772  -1.155  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.128  -2.493  -0.799  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.143  -1.652  -0.090  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        0.744  -1.155   1.160  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        2.156  -0.649   1.037  0.00  0.00    -0.008 C 
BRANCH   2  11
ATOM      8  C   LIG    1        6.925   0.690  -0.264  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        5.842   1.534  -0.025  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.545   1.008   0.055  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.312  -0.365  -0.102  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.405  -1.204  -0.342  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        6.699  -0.678  -0.420  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.517   2.454  -0.208  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        8.235   1.069  -0.364  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.705  -0.010  -0.472  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.809  -1.068  -0.456  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.104  -0.457   0.018  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1       -4.239  -0.328   1.374  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.515  -0.652   1.999  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -5.343   0.223   1.971  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -5.443   0.327   3.188  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.398   0.682   1.052  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -6.173   0.516  -0.318  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -7.158   0.943  -1.211  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -8.341   1.524  -0.741  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -8.550   1.682   0.630  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.576   1.261   1.534  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -4.998  -0.061  -0.828  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6