REMARK  Name = BDB046602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.661  -0.762   0.541  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -0.569  -1.008  -0.530  0.00  0.00    +0.114 C 
ATOM      3  N   LIG    1       -0.307  -2.445  -0.720  0.00  0.00    -0.336 N 
ATOM      4  H   LIG    1        0.452  -2.605  -1.380  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -1.443  -3.214  -0.998  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.706  -2.868  -0.510  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.808  -3.688  -0.725  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.667  -4.889  -1.424  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.408  -5.269  -1.883  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -5.111  -3.276  -0.184  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -6.119  -3.949  -0.368  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -5.120  -2.104   0.534  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.005  -1.805   0.931  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.048  -1.301   0.776  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -1.302  -4.443  -1.654  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -2.894  -1.635   0.271  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1       -2.849   4.956   0.917  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -2.532   3.494   0.806  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -2.978   2.753  -0.293  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -2.710   1.385  -0.382  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.004   0.726   0.637  0.00  0.00    -0.036 A 
ATOM     22  C   LIG    1       -1.573   1.471   1.744  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.839   2.840   1.829  0.00  0.00    +0.003 A 
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  C   LIG    1        0.759  -0.346  -0.180  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        1.190   0.787  -0.886  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.397   1.410  -0.563  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.205   0.914   0.469  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        2.777  -0.213   1.180  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.568  -0.836   0.859  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.505   1.605   0.826  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.454   1.691  -0.300  0.00  0.00    -0.304 NA
ATOM     32  C   LIG    1        5.975   0.371  -0.662  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1        6.560   2.585   0.046  0.00  0.00    +0.104 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   2  24
TORSDOF 4