REMARK  Name = BDB048671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.033   0.771  -0.524  0.00  0.00    -0.277 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.678   1.956  -0.580  0.00  0.00    +0.292 A 
ATOM      3  O   LIG    1       -1.261   2.869  -1.516  0.00  0.00    -0.424 OA
ATOM      4  C   LIG    1       -2.085   3.938  -1.334  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -2.962   3.623  -0.311  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -3.923   4.566   0.073  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -3.949   5.795  -0.605  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.042   6.074  -1.637  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.077   5.140  -2.031  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1       -2.696   2.362   0.154  0.00  0.00    -0.195 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1        0.092   0.463  -1.393  0.00  0.00    +0.144 C 
BRANCH  11  14
ATOM     12  C   LIG    1        3.416  -0.335   0.326  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        2.184  -0.482  -0.320  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        1.417   0.636  -0.682  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        1.902   1.912  -0.365  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.118   2.060   0.306  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.871   0.938   0.658  0.00  0.00    +0.046 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.051  -1.501   0.637  0.00  0.00    -0.475 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.714  -3.143   0.451  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        5.469  -1.623   0.420  0.00  0.00    +0.200 C 
ATOM     21  C   LIG    1        5.899  -1.103  -0.962  0.00  0.00    +0.067 C 
BRANCH  20  22
ATOM     22  C   LIG    1        6.329  -1.038   1.556  0.00  0.00    +0.348 C 
ATOM     23  O   LIG    1        5.951  -0.664   2.657  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.649  -0.984   1.265  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1        8.051  -0.620   2.083  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   1  26
ATOM     26  C   LIG    1       -1.421  -0.194   0.501  0.00  0.00    +0.151 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.726  -0.915   0.141  0.00  0.00    +0.248 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.920  -1.992   1.063  0.00  0.00    -0.490 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.018  -2.784   0.868  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1       -4.111  -3.878   1.732  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -5.182  -4.771   1.638  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.174  -4.567   0.683  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.088  -3.476  -0.181  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -5.014  -2.584  -0.089  0.00  0.00    +0.045 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 11