REMARK  Name = BDB011651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.882   0.419   1.492  0.00  0.00    +0.050 C 
ATOM      2  C   LIG    1       -1.337  -0.399   0.384  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.029  -1.169  -0.531  0.00  0.00    +0.169 A 
ATOM      4  O   LIG    1       -1.145  -1.760  -1.378  0.00  0.00    -0.356 OA
ATOM      5  N   LIG    1        0.140  -1.387  -1.051  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1        0.031  -0.558   0.004  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.461  -1.486  -0.777  0.00  0.00    +0.187 C 
ATOM      8  O   LIG    1       -4.199  -0.278  -0.565  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -5.598  -0.420  -0.855  0.00  0.00    +0.125 C 
ATOM     10  C   LIG    1       -6.204  -1.467   0.094  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -5.457  -2.795  -0.015  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -3.958  -2.584   0.162  0.00  0.00    +0.040 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.265   0.990  -0.784  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -5.588   1.918  -1.817  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -6.105   1.635   0.606  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -7.764   0.906  -1.126  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        1.226   0.054   0.609  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        2.397  -0.328  -0.009  0.00  0.00    -0.274 N 
ATOM     19  H   LIG    1        2.275  -0.875  -0.863  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.140   0.843   1.544  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.687   0.029   0.264  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.756  -0.277  -0.734  0.00  0.00    +0.289 A 
ATOM     23  O   LIG    1        4.560  -0.949  -1.736  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1        5.948   0.287  -0.267  0.00  0.00    -0.245 N 
ATOM     25  N   LIG    1        5.701   0.766   1.057  0.00  0.00    -0.287 N 
ATOM     26  C   LIG    1        6.358   2.038   1.373  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1        4.323   0.607   1.296  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        3.762   0.990   2.627  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1        7.253  -0.378  -0.465  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        7.530  -0.909  -1.900  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        8.993  -0.472  -1.702  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        8.460   0.570  -0.701  0.00  0.00    +0.027 C 
ENDBRANCH  24  29
ENDBRANCH  18  21
ENDBRANCH   6  17
TORSDOF 5