REMARK  Name = BDB051276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.845   1.326  -0.098  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.575   0.611   1.072  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.255   0.276   1.395  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        0.807   0.662   0.560  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.517   1.397  -0.602  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.800   1.737  -0.927  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.195   0.316   0.889  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        3.171   0.387  -0.036  0.00  0.00    -0.164 NA
ATOM      9  N   LIG    1        4.287   0.004   0.611  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1        4.059  -0.310   1.927  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        5.076  -0.722   2.756  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        4.908  -0.952   3.728  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        6.370  -0.835   2.285  0.00  0.00    +0.259 A 
ATOM     14  C   LIG    1        6.614  -0.491   0.851  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        7.902  -0.584   0.318  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        8.124  -0.261  -1.024  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.064   0.155  -1.836  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.773   0.252  -1.315  0.00  0.00    +0.028 A 
ATOM     19  O   LIG    1        7.284  -1.202   3.015  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.559  -0.072   0.027  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1        2.719  -0.120   2.143  0.00  0.00    +0.076 A 
ENDBRANCH   4   7
BRANCH   1  27
ATOM     22  C   LIG    1       -6.878  -2.394  -0.417  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1       -6.347  -1.264  -1.173  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -6.568   0.004  -0.446  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -5.575   1.114  -0.827  0.00  0.00    +0.123 C 
ATOM     26  N   LIG    1       -4.193   0.714  -0.559  0.00  0.00    -0.295 N 
ATOM     27  C   LIG    1       -3.230   1.710  -0.450  0.00  0.00    +0.247 C 
ATOM     28  O   LIG    1       -3.466   2.902  -0.625  0.00  0.00    -0.270 OA
ATOM     29  C   LIG    1       -3.909  -0.723  -0.664  0.00  0.00    +0.123 C 
ATOM     30  C   LIG    1       -4.934  -1.459  -1.550  0.00  0.00    +0.103 C 
ENDBRANCH   1  27
TORSDOF 2