REMARK  Name = BDB049357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.253  -0.893  -0.408  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.179  -1.738  -0.728  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.881  -1.207  -0.747  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.694  -1.830  -1.023  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.245  -0.912  -0.899  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        0.316   0.306  -0.565  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.679   0.136  -0.450  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.729   1.000  -0.121  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.021   0.456  -0.106  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.452  -0.929   2.049  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.572  -1.431   0.660  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.603  -1.414  -0.377  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.243  -2.012  -1.441  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.873  -2.327  -2.835  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.502  -2.364  -1.065  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.715  -1.997   0.250  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.716  -1.161  -1.098  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.240  -2.280  -0.173  0.00  0.00    +0.159 C 
ATOM     19  O   LIG    1       -2.700  -3.357  -1.018  0.00  0.00    -0.371 OA
ATOM     20  C   LIG    1       -2.073  -3.187  -2.291  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1       -2.004  -1.692  -2.495  0.00  0.00    +0.042 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.374  -1.799   0.709  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.675  -1.638   0.207  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -5.698  -1.152   1.023  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.434  -0.821   2.350  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.148  -0.978   2.864  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.124  -1.464   2.049  0.00  0.00    +0.006 A 
ENDBRANCH  18  22
ENDBRANCH   5  17
BRANCH   6  28
ATOM     28  C   LIG    1       -0.384   1.565  -0.365  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.811   1.749   1.099  0.00  0.00    +0.106 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -1.705   2.873   1.395  0.00  0.00    -0.296 NA
ATOM     31  C   LIG    1       -3.096   2.642   0.963  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -3.894   3.953   0.927  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -3.375   4.888  -0.029  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -1.959   4.782  -0.222  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -1.212   4.198   0.989  0.00  0.00    +0.112 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 6