REMARK  Name = BDB045785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.065   0.058  -0.929  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.408   0.380  -1.763  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.722  -0.459   0.085  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.358  -0.755   1.217  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.244   0.745  -1.024  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.673   0.132   0.090  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        2.292  -0.107   0.147  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.460   0.268  -0.906  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.033   0.883  -2.024  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        3.411   1.123  -2.080  0.00  0.00    +0.025 A 
BRANCH   5  14
ATOM     11  N   LIG    1        7.838   1.188  -0.711  0.00  0.00    -0.299 N 
ATOM     12  H   LIG    1        7.774   2.078  -1.179  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1        6.638   0.625  -0.314  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1        5.618   1.028  -1.148  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1        5.917   1.448  -2.014  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1        6.551  -0.133   0.642  0.00  0.00    -0.253 OA
BRANCH  11  18
ATOM     17  C   LIG    1        9.142   1.806   1.285  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        9.053   0.940   0.040  0.00  0.00    +0.102 C 
ENDBRANCH  11  18
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.170  -0.609  -0.245  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1       -3.103  -0.484   0.793  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -4.479  -0.601   0.543  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -4.901  -0.867  -0.770  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -3.976  -1.027  -1.805  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.611  -0.894  -1.540  0.00  0.00    +0.058 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.463  -0.457   1.637  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.612  -1.406   1.812  0.00  0.00    +0.262 A 
ATOM     27  O   LIG    1       -6.819  -2.342   1.046  0.00  0.00    -0.267 OA
ATOM     28  N   LIG    1       -7.439  -1.173   2.878  0.00  0.00    -0.275 N 
ATOM     29  H   LIG    1       -8.213  -1.804   3.009  0.00  0.00    +0.173 HD
ATOM     30  C   LIG    1       -7.334  -0.129   3.749  0.00  0.00    +0.327 A 
ATOM     31  O   LIG    1       -8.130   0.047   4.665  0.00  0.00    -0.247 OA
ATOM     32  N   LIG    1       -6.284   0.716   3.529  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1       -6.201   1.491   4.177  0.00  0.00    +0.170 HD
ATOM     34  C   LIG    1       -5.381   0.558   2.514  0.00  0.00    +0.101 A 
ENDBRANCH  21  25
BRANCH  23  35
ATOM     35  O   LIG    1       -4.275  -1.304  -3.112  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1       -5.620  -1.678  -3.394  0.00  0.00    +0.277 C 
ENDBRANCH  23  35
ENDBRANCH   3  19
TORSDOF 6