REMARK  Name = BDB061248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.381  -2.080   1.585  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.422  -1.821   0.672  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        2.288  -2.843   0.275  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        3.360  -2.528  -0.678  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1        3.460  -1.140  -1.145  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        2.577  -0.243  -0.687  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1        4.144  -3.390  -1.062  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1        2.132  -4.135   0.785  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1        1.118  -4.409   1.695  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1        1.551  -0.536   0.194  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1        0.256  -3.386   2.091  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.620   1.166  -1.115  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        1.448   1.805  -1.546  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.472   3.145  -1.940  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.666   3.853  -1.901  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        3.840   3.244  -1.473  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.815   1.902  -1.078  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1        2.644   5.158  -2.294  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        3.543   5.519  -2.233  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  O   LIG    1        2.946  -5.180   0.439  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        3.612  -4.851  -0.207  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1       -0.724  -3.652   3.007  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -0.771  -4.611   3.153  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1       -0.587  -0.990   2.007  0.00  0.00    +0.127 C 
BRANCH  24  30
ATOM     25  C   LIG    1       -4.314   3.293  -0.312  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -4.035   1.959  -0.957  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1       -3.450   0.991  -0.161  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1       -3.108   1.169   1.253  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -2.886  -0.171   1.980  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -1.902  -1.071   1.347  0.00  0.00    -0.295 NA
ATOM     31  C   LIG    1       -1.817  -0.869  -0.114  0.00  0.00    +0.103 C 
ATOM     32  C   LIG    1       -3.104  -0.308  -0.744  0.00  0.00    +0.123 C 
ATOM     33  O   LIG    1       -4.327   1.764  -2.136  0.00  0.00    -0.276 OA
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 6