REMARK  Name = BDB054103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.804  -0.633   0.460  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.988   0.083   1.315  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.449   0.674   1.998  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.411  -1.097  -0.609  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.364   0.465   0.920  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.248   0.756   2.149  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.650   1.091   1.834  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.805   1.708   0.505  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.590   2.540   0.097  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.335   1.676  -0.024  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.534  -0.079   2.014  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.049   0.217   1.966  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.683   0.202   0.594  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        6.360   1.333   0.113  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        6.960   1.339  -1.150  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        6.894   0.193  -1.941  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        6.238  -0.946  -1.469  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.640  -0.945  -0.209  0.00  0.00    +0.004 A 
BRANCH  15  19
ATOM     19  O   LIG    1        7.572   2.515  -1.486  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1        8.199   2.572  -2.760  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1       -3.250  -0.836   0.977  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.607   0.470  -0.630  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -4.119  -0.743  -0.190  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -4.022  -1.443  -0.921  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -4.527   1.501   0.034  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -5.180   0.421  -2.067  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -6.071   1.623  -2.366  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -7.059  -1.115  -1.639  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -5.811  -0.892  -2.362  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -6.008  -0.933  -3.363  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -3.444  -2.167   1.767  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -2.549  -2.182   3.023  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.912  -2.271   2.236  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -3.116  -3.411   0.919  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 10