REMARK  Name = BDB063031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.673  -0.784  -0.104  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1        1.963  -2.133  -0.341  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1        0.941  -3.095  -0.394  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.382  -2.708  -0.181  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -0.698  -1.373   0.102  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        0.336  -0.423   0.154  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.052  -1.016   0.347  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -2.722   0.085  -0.256  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.838   0.700   0.347  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -4.476   1.788  -0.277  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -4.043   2.247  -1.517  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.974   1.623  -2.147  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.353   0.239   1.685  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -3.891  -1.175   1.988  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -2.328   0.550  -1.525  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -2.390  -1.265   1.763  0.00  0.00    +0.111 C 
ENDBRANCH   5   7
BRANCH   1  20
ATOM     17  C   LIG    1        3.835   3.172   1.545  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1        3.605   2.007   0.659  0.00  0.00    +0.061 A 
ATOM     19  N   LIG    1        2.500   1.271   0.788  0.00  0.00    -0.171 NA
ATOM     20  N   LIG    1        2.644   0.251  -0.097  0.00  0.00    -0.234 N 
ATOM     21  C   LIG    1        3.727   0.474  -0.939  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        4.022  -0.249  -2.202  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        4.405   1.551  -0.403  0.00  0.00    +0.047 A 
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  N   LIG    1        3.324  -2.642  -0.364  0.00  0.00    +0.059 N 
ATOM     25  O   LIG    1        4.069  -2.326   0.571  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        3.628  -3.382  -1.309  0.00  0.00    -0.126 OA
ENDBRANCH   2  24
TORSDOF 3