REMARK  Name = BDB059737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.297   0.906  -0.394  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        3.368   0.167   0.075  0.00  0.00    -0.321 N 
ATOM      3  C   LIG    1        3.328  -1.214   0.518  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1        4.590  -1.991   0.171  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1        5.722  -1.632   1.000  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        6.272  -2.382   1.407  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1        6.402  -0.442   1.002  0.00  0.00    +0.248 C 
ATOM      8  C   LIG    1        5.841   0.753   0.354  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        6.673   1.841   0.088  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1        6.286   3.003  -0.498  0.00  0.00    -0.260 NA
ATOM     11  C   LIG    1        4.982   3.150  -0.845  0.00  0.00    +0.140 A 
ATOM     12  C   LIG    1        4.066   2.121  -0.599  0.00  0.00    +0.108 A 
ATOM     13  O   LIG    1        7.500  -0.385   1.550  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        4.504   0.939  -0.007  0.00  0.00    +0.084 A 
ATOM     15  N   LIG    1        2.720   2.067  -0.857  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1       -1.798  -0.356  -0.530  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1       -1.169   0.172  -1.665  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        0.167   0.582  -1.609  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        0.901   0.466  -0.422  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        0.265  -0.036   0.720  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -1.069  -0.450   0.664  0.00  0.00    +0.005 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -3.245  -0.795  -0.580  0.00  0.00    +0.116 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.068   0.062   0.269  0.00  0.00    -0.307 NA
ATOM     24  H   LIG    1       -3.891   1.035   0.015  0.00  0.00    +0.123 HD
BRANCH  23  26
ATOM     25  C   LIG    1       -5.852  -1.652   0.615  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -5.517  -0.198   0.247  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -6.137   0.155  -1.116  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -6.132   0.727   1.315  0.00  0.00    +0.027 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4