REMARK  Name = BDB059542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.800  -1.774   3.144  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.470  -1.202   2.815  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -0.831  -1.386   1.607  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1        0.362  -0.716   1.658  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1        0.392  -0.142   2.919  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        1.508   0.624   3.256  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.505   0.756   2.282  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.364   0.133   1.032  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        1.292  -0.632   0.688  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -0.738  -0.457   3.626  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.390   0.260  -0.020  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        3.712  -0.828  -0.840  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.679  -0.688  -1.826  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        5.328   0.466  -2.034  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        5.025   1.522  -1.266  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        4.070   1.460  -0.258  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        5.006  -1.778  -2.642  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        4.179  -2.089  -3.141  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.342  -2.545  -2.068  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        5.700   2.723  -1.513  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        6.198   3.021  -0.681  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        5.036   3.445  -1.772  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -1.286  -2.154   0.462  0.00  0.00    +0.169 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.831  -1.257  -0.660  0.00  0.00    +0.190 C 
ATOM     25  C   LIG    1       -2.001  -2.079  -1.936  0.00  0.00    +0.054 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -3.123  -0.790  -0.245  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.497   0.481  -0.579  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1       -2.930   1.270  -1.580  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -3.422   2.556  -1.824  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.486   3.056  -1.075  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.064   2.268  -0.084  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.572   0.985   0.159  0.00  0.00    +0.045 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7