REMARK  Name = BDB002321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.569  -1.354  -1.640  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.420  -1.956  -2.182  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.769  -1.090  -2.218  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        0.649  -0.307  -3.526  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.148  -1.228  -4.446  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.613  -2.382  -3.561  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -2.176  -0.440  -2.201  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.104  -0.201  -0.990  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        2.281   0.519  -1.159  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        2.792   0.372  -2.019  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        0.397  -0.179   0.012  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.865   1.431  -0.253  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.072   2.029  -0.634  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.722   2.953   0.208  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.163   3.293   1.455  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1        4.746   4.169   2.292  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1        5.910   4.736   1.908  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        6.537   4.468   0.706  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.967   2.691   1.815  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        5.932   3.562  -0.156  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.317   1.771   0.981  0.00  0.00    +0.025 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.029  -1.962  -0.293  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.751  -0.838   1.797  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.725  -0.892   0.423  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -2.942  -0.067  -0.125  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -2.406  -1.791   2.497  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -3.334   0.472   2.394  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -2.722   1.735   1.788  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -1.913   0.704   4.399  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -3.252   0.443   3.879  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -3.503  -0.511   4.159  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.925  -3.214  -0.438  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -2.132  -4.451  -0.863  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -4.117  -2.999  -1.376  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7