REMARK  Name = BDB002170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.915  -1.046  -0.843  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.640  -0.479  -0.203  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1        0.514  -1.072  -0.696  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        0.397  -1.780  -1.409  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1       -0.694   0.411   0.641  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  C   LIG    1        1.847  -0.784  -0.339  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        2.219   0.161   0.610  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        3.575   0.385   0.899  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        4.606  -0.320   0.262  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.205  -1.267  -0.690  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        2.854  -1.498  -0.989  0.00  0.00    +0.025 A 
BRANCH   9  12
ATOM     12  N   LIG    1        5.939  -0.092   0.549  0.00  0.00    -0.326 N 
ATOM     13  C   LIG    1        6.393   1.123   1.245  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1        7.866   1.406   0.902  0.00  0.00    +0.178 C 
ATOM     15  O   LIG    1        8.766   0.345   1.254  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1        8.144  -0.947   1.258  0.00  0.00    +0.178 C 
ATOM     17  C   LIG    1        6.983  -1.087   0.258  0.00  0.00    +0.133 C 
ENDBRANCH   9  12
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  N   LIG    1       -2.589  -0.140  -1.802  0.00  0.00    -0.287 NA
BRANCH  18  20
ATOM     19  C   LIG    1       -0.869   1.481  -2.805  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -1.766   0.253  -2.951  0.00  0.00    +0.082 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -3.276   0.996  -1.152  0.00  0.00    +0.159 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.527   0.516  -0.423  0.00  0.00    +0.125 A 
ATOM     23  N   LIG    1       -5.204  -0.509  -1.034  0.00  0.00    -0.309 N 
ATOM     24  H   LIG    1       -4.789  -0.929  -1.856  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.326  -1.096  -0.513  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -6.861  -2.068  -1.032  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.833  -0.485   0.727  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.105   0.581   1.266  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -6.564   1.172   2.445  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -7.725   0.707   3.069  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -8.440  -0.358   2.519  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.995  -0.960   1.343  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -4.930   1.075   0.672  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 7