REMARK  Name = BDB048467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.391  -0.776   0.597  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.081  -0.504   0.191  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.997  -1.264   0.672  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.740  -2.327   1.550  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.564  -2.615   1.950  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.623  -1.841   1.476  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.374  -0.975   0.259  0.00  0.00    +0.100 A 
ATOM      8  C   LIG    1       -2.987   0.297   0.004  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -4.296   0.001  -0.362  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -5.241   0.975  -0.702  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.827   2.309  -0.657  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.526   2.645  -0.285  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -4.384  -1.361  -0.300  0.00  0.00    -0.276 N 
ATOM     14  H   LIG    1       -5.194  -1.933  -0.504  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1       -2.598   1.651   0.051  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.259  -1.975   0.089  0.00  0.00    -0.173 NA
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1        2.542   1.085  -0.603  0.00  0.00    +0.241 C 
ATOM     18  N   LIG    1        2.518  -0.044   0.166  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        3.418  -0.393   0.486  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.569   1.704  -1.024  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1        5.134   1.173  -0.931  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1        3.885   1.658  -0.906  0.00  0.00    +0.074 C 
BRANCH  21  24
ATOM     23  O   LIG    1        6.757  -0.551  -1.061  0.00  0.00    -0.246 OA
ATOM     24  C   LIG    1        5.689  -0.150  -0.636  0.00  0.00    +0.330 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.965  -0.886   0.216  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        5.505  -1.704   0.301  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 5