REMARK  Name = BDB062164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.687   0.344   0.245  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1        3.392   0.165  -0.221  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        3.050  -1.128  -0.807  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.585  -1.457  -0.529  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1        0.624  -0.450  -1.228  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1        1.307   0.956  -1.312  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1        2.343   1.184  -0.213  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        5.573  -0.495   0.096  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -0.756  -0.302  -0.545  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -1.135  -0.988   0.611  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.422  -0.838   1.161  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.397  -0.003   0.596  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -3.013   0.659  -0.578  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -1.732   0.519  -1.135  0.00  0.00    +0.006 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -4.680   0.119   1.140  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1       -5.572   1.165   0.641  0.00  0.00    +0.129 C 
ATOM     17  C   LIG    1       -4.900  -0.286   2.528  0.00  0.00    +0.129 C 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     18  C   LIG    1        6.235   2.014   1.167  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        4.972   1.610   0.977  0.00  0.00    +0.060 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  C   LIG    1        0.449  -1.017  -2.664  0.00  0.00    +0.315 C 
ATOM     21  O   LIG    1        1.158  -0.720  -3.616  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -0.523  -1.952  -2.800  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -1.060  -2.111  -1.998  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 5