REMARK  Name = BDB000050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.400  -0.381   1.645  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        1.757  -0.190   1.419  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        2.464   0.194   0.198  0.00  0.00    +0.257 C 
ATOM      4  N   LIG    1        3.805   0.172   0.476  0.00  0.00    -0.219 N 
ATOM      5  C   LIG    1        4.004  -0.026   1.822  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        5.035   0.066   2.463  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        1.881   0.520  -0.820  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.705  -0.319   2.415  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.371  -0.640   3.714  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.017  -0.834   3.986  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.048  -0.704   2.966  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.899   0.595  -0.427  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1        6.025  -0.454  -0.304  0.00  0.00    +0.243 C 
ATOM     14  O   LIG    1        5.813  -1.657  -0.145  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        7.312  -0.003  -0.487  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        8.035  -0.705  -0.407  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.752   1.286  -0.658  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.949   1.534  -0.767  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.696   2.358  -0.778  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1        5.427   1.986  -0.026  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        4.495   0.576  -1.917  0.00  0.00    +0.042 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     22  N   LIG    1       -0.530  -0.254   0.605  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1       -0.142   0.174  -0.241  0.00  0.00    +0.152 HD
BRANCH  22  29
ATOM     24  C   LIG    1       -5.019  -0.189  -1.626  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1       -3.936  -0.730  -0.724  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -4.348  -1.890  -0.065  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -3.507  -2.536   0.823  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -2.228  -2.007   1.037  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -1.790  -0.842   0.378  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1       -5.760  -2.236  -0.411  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1       -2.671  -0.199  -0.506  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -5.984  -1.401  -1.679  0.00  0.00    +0.028 C 
BRANCH  24  34
ATOM     33  C   LIG    1       -6.269   1.063   0.102  0.00  0.00    +0.105 C 
ATOM     34  N   LIG    1       -5.560   1.104  -1.175  0.00  0.00    -0.301 NA
ATOM     35  C   LIG    1       -6.402   1.713  -2.203  0.00  0.00    +0.105 C 
ENDBRANCH  24  34
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 4