REMARK  Name = BDB064530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.199   1.039   1.095  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        0.672  -0.081   1.778  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -0.694  -0.408   1.567  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.217  -1.532   2.243  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.436  -2.320   3.090  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.895  -1.997   3.294  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.499   0.400   0.706  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -0.928   1.520   0.080  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.443  -0.888   2.651  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.410   1.843   0.271  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.559  -0.099  -0.620  0.00  0.00    +0.219 A 
ATOM     12  N   LIG    1        3.633   0.832   0.412  0.00  0.00    -0.162 N 
ATOM     13  C   LIG    1        2.622   1.398   1.210  0.00  0.00    +0.282 C 
ATOM     14  O   LIG    1        2.920   2.245   2.053  0.00  0.00    -0.265 OA
ATOM     15  N   LIG    1        4.931   1.207   0.586  0.00  0.00    -0.139 NA
ATOM     16  C   LIG    1        5.576   0.521  -0.371  0.00  0.00    +0.202 A 
ATOM     17  N   LIG    1        4.750  -0.283  -1.125  0.00  0.00    -0.192 NA
BRANCH  16  18
ATOM     18  C   LIG    1        7.027   0.607  -0.601  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1        7.546  -0.179  -1.582  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        8.877  -0.105  -1.798  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        9.731   0.716  -1.082  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        9.190   1.513  -0.082  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.820   1.460   0.165  0.00  0.00    +0.031 A 
ENDBRANCH  16  18
BRANCH  11  24
ATOM     24  N   LIG    1        2.443  -0.717  -1.069  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1        2.651  -1.432  -1.766  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        1.775  -1.086  -0.398  0.00  0.00    +0.145 HD
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  N   LIG    1       -2.842   0.051   0.467  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1       -3.840   1.126   0.539  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -5.270   0.526   0.527  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1       -5.490  -0.579  -0.433  0.00  0.00    -0.292 NA
ATOM     31  C   LIG    1       -4.379  -0.699  -1.391  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1       -3.010  -0.875  -0.679  0.00  0.00    +0.120 C 
BRANCH  30  33
ATOM     33  C   LIG    1       -6.865  -0.524  -0.976  0.00  0.00    +0.108 C 
ATOM     34  C   LIG    1       -7.159  -1.666  -1.960  0.00  0.00    +0.181 C 
ATOM     35  O   LIG    1       -6.958  -0.777  -3.098  0.00  0.00    -0.377 OA
ATOM     36  C   LIG    1       -7.030   0.373  -2.210  0.00  0.00    +0.181 C 
ENDBRANCH  30  33
ENDBRANCH   7  27
TORSDOF 5