REMARK  Name = BDB048823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.895   0.388   0.398  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        2.017   1.122   1.284  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1        0.642   0.868   0.906  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.735  -0.032  -0.169  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.413  -0.510  -0.779  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.657  -0.064  -0.311  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.745   0.851   0.752  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -0.579   1.321   1.369  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        2.156  -0.335  -0.474  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.692  -1.238  -1.496  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        3.373  -2.407  -1.130  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        3.877  -3.264  -2.111  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.705  -2.959  -3.460  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.028  -1.798  -3.832  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.523  -0.941  -2.853  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1        2.461   2.207   2.095  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1        3.329   3.169   1.499  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1        2.034   2.343   3.482  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1        4.361   0.422   0.533  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        4.929   0.243   1.601  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        4.935   0.699  -0.662  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1        6.775   2.223  -0.284  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        6.363   0.810  -0.651  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1       -2.898   1.351   1.292  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.146   1.034   0.669  0.00  0.00    +0.233 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.726  -0.257   1.248  0.00  0.00    +0.076 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.046  -0.614   0.615  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -7.240  -0.075   1.111  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.460  -0.389   0.511  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.497  -1.240  -0.592  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.314  -1.778  -1.096  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.093  -1.466  -0.497  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 9