REMARK  Name = BDB058538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.520  -0.575  -0.184  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        0.272  -0.293   1.308  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1       -0.924  -1.086   1.867  0.00  0.00    +0.059 C 
ATOM      4  N   LIG    1       -2.159  -0.839   1.116  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1       -1.892  -1.435  -0.197  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1       -1.411  -2.824   0.245  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1       -0.767  -2.592   1.619  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -0.800  -0.676  -0.971  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        1.363   0.470  -0.770  0.00  0.00    -0.312 N 
ATOM     10  H   LIG    1        1.036   0.809  -1.664  0.00  0.00    +0.149 HD
BRANCH   9  22
ATOM     11  C   LIG    1        2.769   2.489  -2.113  0.00  0.00    +0.155 C 
ATOM     12  N   LIG    1        3.448   1.516  -1.274  0.00  0.00    -0.282 N 
ATOM     13  C   LIG    1        4.840   1.633  -1.181  0.00  0.00    +0.279 A 
ATOM     14  O   LIG    1        5.521   2.451  -1.794  0.00  0.00    -0.265 OA
ATOM     15  C   LIG    1        5.400   0.686  -0.284  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        4.654  -0.229   0.389  0.00  0.00    +0.097 A 
ATOM     17  C   LIG    1        5.497  -1.009   1.192  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        6.779  -0.533   0.980  0.00  0.00    +0.085 A 
ATOM     19  N   LIG    1        3.279  -0.330   0.253  0.00  0.00    -0.214 NA
ATOM     20  N   LIG    1        6.707   0.503   0.074  0.00  0.00    -0.355 N 
ATOM     21  H   LIG    1        7.485   1.049  -0.275  0.00  0.00    +0.166 HD
ATOM     22  C   LIG    1        2.729   0.529  -0.570  0.00  0.00    +0.199 A 
ENDBRANCH   9  22
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1       -2.640   0.541   1.137  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.008   0.695   0.505  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -5.107  -0.022   1.003  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.370   0.124   0.429  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.551   0.992  -0.646  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.469   1.713  -1.149  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.204   1.567  -0.576  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 4