REMARK  Name = BDB049900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.973  -0.361  -0.681  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.190  -0.382   0.318  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -1.423  -0.603  -0.249  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1       -1.511  -0.869  -1.224  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1       -0.045  -0.265   1.531  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -2.658  -0.613   0.546  0.00  0.00    +0.184 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.132   0.826   0.850  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -3.544   1.602  -0.406  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -4.266   0.854   1.878  0.00  0.00    +0.009 C 
ENDBRANCH   6   7
BRANCH   6  10
ATOM     10  C   LIG    1       -3.682  -1.443  -0.237  0.00  0.00    +0.328 C 
ATOM     11  O   LIG    1       -3.629  -1.619  -1.452  0.00  0.00    -0.249 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -4.636  -1.954   0.587  0.00  0.00    -0.467 OA
ATOM     13  C   LIG    1       -5.625  -2.739  -0.079  0.00  0.00    +0.280 C 
ENDBRANCH  10  12
ENDBRANCH   6  10
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        2.317  -0.175   0.058  0.00  0.00    +0.013 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.546  -0.302  -0.848  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.873  -0.180  -0.091  0.00  0.00    -0.000 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.534  -1.246   1.475  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        5.154  -1.356   0.845  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   1  19
ATOM     19  C   LIG    1        0.737   0.642  -1.823  0.00  0.00    +0.110 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.598   2.086  -1.389  0.00  0.00    +0.236 C 
ATOM     21  N   LIG    1        0.538   2.967  -2.448  0.00  0.00    -0.197 N 
ATOM     22  H   LIG    1        0.209   2.681  -3.364  0.00  0.00    +0.182 HD
ATOM     23  O   LIG    1        0.527   2.473  -0.227  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  O   LIG    1        0.259   4.308  -2.086  0.00  0.00    -0.295 OA
ATOM     25  H   LIG    1        0.238   4.261  -1.103  0.00  0.00    +0.241 HD
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 12