REMARK  Name = BDB048446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424  -1.162   0.430  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.211  -0.998   1.668  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.555  -0.614   1.735  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.306  -0.392   0.571  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.668  -0.573  -0.665  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.325  -0.958  -0.737  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.718   0.017   0.644  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.650  -0.726   1.389  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        5.993  -0.340   1.460  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.431   0.803   0.783  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        5.516   1.553   0.037  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        4.175   1.162  -0.030  0.00  0.00    +0.009 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.843   1.254   0.827  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        8.297   2.232   0.263  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        8.623   0.456   1.578  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        9.509   0.870   1.514  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.869  -1.595   0.372  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.088   0.558  -0.177  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.684  -0.730  -0.471  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -3.219  -1.080  -1.694  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.925   0.050  -2.091  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -4.604   0.048  -3.318  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.553  -1.100  -4.117  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.838  -2.223  -3.701  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.154  -2.239  -2.480  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1       -3.830   1.044  -1.154  0.00  0.00    -0.232 NA
BRANCH  18  27
ATOM     27  C   LIG    1       -2.692   1.300   1.063  0.00  0.00    +0.074 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.015   1.850   1.946  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.682   2.400   1.457  0.00  0.00    +0.004 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7