REMARK  Name = BDB018636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.443   2.438  -2.309  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -1.131   1.543  -1.815  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1       -0.609   0.118  -1.642  0.00  0.00    +0.172 C 
ATOM      4  C   LIG    1       -1.679  -0.882  -1.215  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1       -2.613  -0.316  -0.170  0.00  0.00    +0.050 C 
ATOM      6  C   LIG    1       -2.473  -0.817   1.259  0.00  0.00    +0.017 C 
ATOM      7  C   LIG    1       -3.616  -1.299   0.422  0.00  0.00    +0.017 C 
ATOM      8  C   LIG    1       -3.072   1.099  -0.384  0.00  0.00    +0.225 C 
ATOM      9  O   LIG    1       -4.007   1.581   0.245  0.00  0.00    -0.275 OA
ATOM     10  N   LIG    1       -2.379   1.825  -1.321  0.00  0.00    -0.254 N 
ATOM     11  H   LIG    1       -2.645   2.799  -1.369  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1        0.580   0.132  -0.800  0.00  0.00    -0.222 N 
ATOM     13  C   LIG    1        0.648   0.654   0.462  0.00  0.00    +0.254 C 
ATOM     14  O   LIG    1       -0.208   1.242   1.094  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.994   0.381   0.960  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        2.663  -0.330  -0.019  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.966  -0.755   0.147  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.593  -0.431   1.354  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.911   0.296   2.352  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.590   0.712   2.161  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        1.739  -0.514  -1.136  0.00  0.00    +0.254 C 
ATOM     22  O   LIG    1        1.989  -1.167  -2.131  0.00  0.00    -0.270 OA
ENDBRANCH   3  12
TORSDOF 1