REMARK  Name = BDB045781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.434  -0.125  -1.470  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.570  -0.603  -0.350  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        0.589  -0.792   0.605  0.00  0.00    -0.282 N 
ATOM      4  H   LIG    1        0.895  -1.069   1.528  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.941  -0.995   0.077  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.021  -0.214  -0.357  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        5.336  -0.544   0.007  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        5.544  -1.671   0.814  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.471  -2.462   1.236  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.169  -2.130   0.863  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        6.476   0.276  -0.448  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        7.536   0.761   0.492  0.00  0.00    +0.262 A 
ATOM     13  O   LIG    1        7.518   0.514   1.694  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        8.544   1.506  -0.060  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        9.262   1.843   0.560  0.00  0.00    +0.173 HD
ATOM     16  C   LIG    1        8.662   1.827  -1.380  0.00  0.00    +0.327 A 
ATOM     17  O   LIG    1        9.593   2.495  -1.814  0.00  0.00    -0.247 OA
ATOM     18  N   LIG    1        7.671   1.351  -2.191  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        7.755   1.584  -3.174  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1        6.618   0.601  -1.744  0.00  0.00    +0.101 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  21
ATOM     21  C   LIG    1       -0.794  -0.551   0.469  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -1.590  -0.732   1.604  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.973  -0.518   1.548  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -3.585  -0.123   0.356  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -2.792   0.054  -0.776  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -1.407  -0.159  -0.721  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1       -4.975   0.071   0.379  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1       -5.463  -0.081   1.260  0.00  0.00    +0.155 HD
ATOM     29  C   LIG    1       -5.808   0.454  -0.656  0.00  0.00    +0.267 C 
ATOM     30  O   LIG    1       -5.490   0.699  -1.813  0.00  0.00    -0.268 OA
BRANCH  29  31
ATOM     31  C   LIG    1       -7.245   0.557  -0.233  0.00  0.00    +0.126 A 
ATOM     32  N   LIG    1       -7.506   0.263   1.075  0.00  0.00    -0.250 NA
ATOM     33  C   LIG    1       -8.798   0.355   1.461  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1       -9.833   0.722   0.614  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -9.535   1.016  -0.713  0.00  0.00    +0.004 A 
ATOM     36  C   LIG    1       -8.217   0.934  -1.151  0.00  0.00    +0.033 A 
ENDBRANCH  29  31
ENDBRANCH  24  27
ENDBRANCH   3  21
TORSDOF 5