REMARK  Name = BDB031153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.396  -0.687   0.476  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.422  -1.091  -0.414  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.415  -2.075   0.010  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.115  -2.702  -1.289  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.035  -2.482  -2.261  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.510  -1.083  -1.873  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.348  -1.025   1.668  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.654  -1.400   0.816  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        0.409  -0.961   2.095  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1       -0.495  -1.018   2.553  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        1.544  -0.371   2.564  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        2.481  -0.485   1.552  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        1.897  -1.124   0.468  0.00  0.00    -0.226 NA
BRANCH  12  14
ATOM     14  C   LIG    1        3.854   0.052   1.616  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1        4.789  -0.317   0.638  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        4.506  -1.239  -0.450  0.00  0.00    +0.132 C 
ATOM     17  O   LIG    1        4.162   0.830   2.523  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        6.033   0.439   0.562  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.967   1.546  -0.462  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        5.291   2.737  -0.179  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        5.240   3.721  -1.153  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1        5.808   3.603  -2.372  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        6.452   2.445  -2.628  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.557   1.402  -1.721  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -2.042  -3.469  -2.021  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -2.922  -3.035  -2.033  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.582   0.169  -0.038  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.290  -2.477   0.167  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.148  -1.692  -0.419  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -4.786  -0.587   0.325  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -4.986  -0.645   1.317  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -4.579  -2.034  -1.453  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -3.577   1.627   0.518  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -2.278   2.337   0.084  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -3.688   1.708   2.052  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -4.767   2.402  -0.089  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8