REMARK  Name = BDB053688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.778   3.707   1.341  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.596   3.852   1.971  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.340   2.885   1.827  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        0.090   1.752   1.039  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.877   0.626   0.671  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        0.062  -0.239  -0.056  0.00  0.00    +0.041 A 
ATOM      7  N   LIG    1       -1.140   0.422  -0.298  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1       -1.156   1.613   0.425  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -2.122   2.623   0.548  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.248   0.376   1.099  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        3.230   0.329   0.111  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.990   0.504  -1.326  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.182   1.163  -2.046  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.469   0.509  -1.758  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.426  -0.458  -2.078  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.688   0.510  -0.300  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.554  -0.178   0.478  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.503   0.235   2.292  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   7  19
ATOM     19  C   LIG    1       -2.176  -0.007  -1.170  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.500  -0.043  -0.719  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.514  -0.456  -1.584  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.210  -0.820  -2.896  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.891  -0.774  -3.348  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.869  -0.369  -2.487  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   1  26
ATOM     25  C   LIG    1       -2.345   5.763   2.305  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1       -2.743   4.691   1.457  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  C   LIG    1        0.341  -1.672  -0.441  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.617  -2.689   0.157  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -0.673  -2.977   1.540  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1        0.217  -2.307   2.548  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -1.621  -3.904   2.000  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -1.713  -4.173   3.311  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.479  -4.570   1.132  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -2.405  -4.317  -0.230  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -1.480  -3.389  -0.711  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5