REMARK  Name = BDB049480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.618   0.068  -2.019  0.00  0.00    +0.211 C 
ATOM      2  C   LIG    1        4.722   1.032  -2.744  0.00  0.00    +0.327 C 
ATOM      3  O   LIG    1        5.078   1.617  -3.764  0.00  0.00    -0.249 OA
ATOM      4  O   LIG    1        3.472   1.258  -2.182  0.00  0.00    -0.425 OA
ATOM      5  C   LIG    1        2.989   0.457  -1.129  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        3.623  -0.737  -0.793  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1        3.079  -1.521   0.224  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        1.930  -1.089   0.894  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.307   0.117   0.554  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        1.840   0.894  -0.472  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1        4.838  -1.155  -1.559  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        6.344   0.739  -0.883  0.00  0.00    +0.321 C 
ATOM     13  O   LIG    1        6.111   1.862  -0.458  0.00  0.00    -0.250 OA
BRANCH  12  15
ATOM     14  C   LIG    1        8.066   0.471   0.685  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        7.316  -0.086  -0.396  0.00  0.00    -0.467 OA
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   9  16
ATOM     16  O   LIG    1        0.195   0.411   1.293  0.00  0.00    -0.491 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.502   1.620   0.971  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.713   1.750   1.894  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.825   0.844   1.500  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -3.011  -0.494   1.770  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -2.252  -1.526   2.497  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -4.183  -0.882   1.185  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -4.656   0.255   0.582  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -3.878   1.310   0.744  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.923   0.144  -0.137  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -6.460   1.274  -0.773  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.669   1.198  -1.469  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.358  -0.011  -1.538  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.839  -1.143  -0.913  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.629  -1.066  -0.217  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 7