REMARK  Name = BDB056759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.248  -1.676   1.872  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.340  -1.414   0.835  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.113  -0.842   1.196  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.223  -0.563   2.518  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -1.477  -0.016   2.601  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.935   0.035   1.364  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        0.689  -0.856   3.543  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.989  -0.440   0.478  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.129  -0.515  -0.958  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        1.925  -1.422   3.206  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.472  -2.266   1.636  0.00  0.00    -0.456 OA
BRANCH  11  14
ATOM     12  C   LIG    1        5.285   0.116  -0.546  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        4.459  -0.363   0.475  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        4.247  -1.736   0.630  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1        4.892  -2.641  -0.211  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.720  -2.170  -1.228  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        5.915  -0.795  -1.397  0.00  0.00    +0.046 A 
BRANCH  12  18
ATOM     18  O   LIG    1        5.398   1.477  -0.589  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        7.609   2.202  -1.275  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        6.142   2.078  -1.648  0.00  0.00    +0.225 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1       -3.275   0.563   0.961  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.918  -0.449   0.185  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.173  -0.173  -0.282  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.879   1.016  -0.093  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -7.165   1.162  -0.636  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -7.742   0.115  -1.366  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.037  -1.072  -1.554  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.759  -1.212  -1.013  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.952   2.407  -0.462  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -9.077   2.605  -0.883  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.288   3.353   0.226  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.920   4.102   0.262  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 9