REMARK  Name = BDB055634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.594   0.045  -0.223  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.483  -0.045   0.626  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.235   0.057   0.043  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.103   0.010   0.660  0.00  0.00    +0.210 C 
ATOM      5  C   LIG    1       -1.081   0.157  -0.491  0.00  0.00    +0.092 C 
ATOM      6  N   LIG    1       -0.306   0.357  -1.630  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -0.725   0.292  -2.553  0.00  0.00    +0.152 HD
ATOM      8  C   LIG    1       -2.420   0.078  -0.425  0.00  0.00    +0.071 C 
ATOM      9  C   LIG    1       -3.406  -0.119   0.648  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.661  -0.103   0.020  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -5.855  -0.257   0.700  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.786  -0.435   2.080  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.543  -0.454   2.733  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.528   0.084  -1.351  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -5.284   0.123  -2.017  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -3.347  -0.295   2.018  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -3.201   0.196  -1.713  0.00  0.00    +0.251 C 
ATOM     18  O   LIG    1       -2.760   0.341  -2.840  0.00  0.00    -0.270 OA
ATOM     19  O   LIG    1       -0.306  -0.128   1.847  0.00  0.00    -0.285 OA
ATOM     20  C   LIG    1        1.040   0.229  -1.331  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        2.124   0.342  -2.172  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.409   0.240  -1.615  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  23
ATOM     23  C   LIG    1        4.947  -0.063   0.389  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.133  -0.229   1.583  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.241  -0.048  -0.044  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.911   0.047  -0.558  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 2