REMARK  Name = BDB005076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.790  -0.620  -1.474  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.232  -1.470  -1.022  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.338  -1.791  -1.828  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1       -1.436  -1.220  -3.101  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.448  -0.348  -3.552  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.647  -0.043  -2.739  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.837  -0.282  -0.587  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1        1.880  -0.933   0.191  0.00  0.00    +0.154 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.066   1.640   0.811  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        5.256   1.090  -0.206  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        3.942   0.716   0.138  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.154   0.158  -0.892  0.00  0.00    +0.134 A 
ATOM     13  N   LIG    1        3.614   0.014  -2.146  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        4.865   0.402  -2.373  0.00  0.00    +0.223 A 
ATOM     15  C   LIG    1        3.467   0.918   1.460  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.279   1.464   2.444  0.00  0.00    +0.002 A 
ATOM     17  N   LIG    1        5.705   0.921  -1.470  0.00  0.00    -0.235 NA
ATOM     18  C   LIG    1        5.578   1.820   2.120  0.00  0.00    +0.015 A 
BRANCH   9  22
ATOM     19  N   LIG    1        8.022   1.923  -0.654  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        8.973   2.221  -0.815  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        7.473   1.540  -1.418  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        7.482   2.072   0.589  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        8.157   2.550   1.494  0.00  0.00    -0.270 OA
ENDBRANCH   9  22
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  24
ATOM     24  C   LIG    1       -2.420  -2.696  -1.300  0.00  0.00    +0.139 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.337  -1.955  -0.463  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1       -3.913  -1.262  -0.920  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -3.202  -1.919   0.906  0.00  0.00    +0.218 C 
ATOM     28  O   LIG    1       -2.369  -2.585   1.516  0.00  0.00    -0.275 OA
BRANCH  27  29
ATOM     29  C   LIG    1       -4.142  -0.967   1.634  0.00  0.00    +0.089 C 
ATOM     30  C   LIG    1       -3.728   0.482   1.350  0.00  0.00    +0.093 C 
ATOM     31  N   LIG    1       -4.696   1.447   1.874  0.00  0.00    -0.315 NA
ATOM     32  H   LIG    1       -4.715   1.384   2.893  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.052   1.246   1.355  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -6.264  -0.059   0.583  0.00  0.00    +0.016 C 
ATOM     35  C   LIG    1       -5.621  -1.237   1.307  0.00  0.00    +0.015 C 
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6