REMARK  Name = BDB002309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.232  -2.173   0.387  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.086  -2.930   0.492  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.250  -2.471   0.868  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.026  -3.767   1.101  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.397  -4.729   0.096  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.071  -4.324   0.084  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -3.270  -2.642  -0.092  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.912  -1.650  -0.262  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.930  -0.831   0.173  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.204  -0.819   1.146  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.580  -1.734  -1.441  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.692   0.006  -0.744  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.124   1.289  -0.052  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        4.442   1.776  -0.152  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        4.794   2.964   0.508  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.843   3.690   1.224  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        2.530   3.239   1.286  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.499   1.036  -0.932  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        4.903   0.082  -1.963  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        2.171   2.052   0.649  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.866  -0.814  -1.301  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.195  -0.706   0.878  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.433   1.409  -0.396  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.803   0.103  -0.172  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.526  -0.337  -0.732  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -1.574   1.979   0.277  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -3.138   2.075  -1.599  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -2.254   1.862  -2.828  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -3.979   4.256  -2.343  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -3.393   3.487  -1.261  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -2.512   3.909  -0.956  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.902  -0.494   2.239  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -2.149  -1.176   3.383  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -4.370  -0.932   2.249  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7