REMARK  Name = BDB005991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.071  -0.457   0.903  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1        0.291  -1.729   0.551  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1       -1.009  -1.807   1.352  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -1.861  -0.617   1.222  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1       -1.114   0.602   1.564  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.179   0.780   0.767  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.747  -1.319  -0.790  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        4.434  -0.892  -0.626  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        3.470  -1.039   0.481  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1        2.311  -0.361   0.129  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1        2.364   0.141  -1.228  0.00  0.00    +0.144 C 
ATOM     12  O   LIG    1        3.653  -1.663   1.510  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        3.759  -0.192  -1.642  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        4.368   0.104  -2.851  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.681  -0.314  -3.040  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.358  -1.014  -2.027  0.00  0.00    +0.014 A 
BRANCH   7  20
ATOM     17  N   LIG    1        6.163  -2.245   1.464  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        6.728  -2.828   2.065  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        5.206  -2.069   1.766  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        6.594  -2.058   0.189  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        7.694  -2.494  -0.141  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -2.530  -0.558  -0.088  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.632   0.480  -0.161  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -4.705   0.433   0.749  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.734   1.391   0.672  0.00  0.00    -0.000 A 
ATOM     26  C   LIG    1       -5.667   2.371  -0.318  0.00  0.00    +0.046 A 
ATOM     27  N   LIG    1       -6.780   3.168  -0.174  0.00  0.00    -0.361 N 
ATOM     28  H   LIG    1       -6.994   3.964  -0.759  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -7.547   2.727   0.872  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1       -4.616   2.442  -1.238  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -6.924   1.627   1.415  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -3.603   1.480  -1.143  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 4