REMARK  Name = BDB057862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.517   4.879  -2.269  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.650   3.416  -1.974  0.00  0.00    +0.044 A 
ATOM      3  N   LIG    1       -1.507   3.055  -1.002  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -1.641   1.734  -0.773  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -0.954   0.772  -1.415  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.085   1.165  -2.353  0.00  0.00    +0.123 A 
ATOM      7  C   LIG    1        0.090   2.492  -2.683  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.553   1.322   0.310  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.515   0.283   0.187  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.282  -0.073   1.318  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.146   0.597   2.533  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.236   1.637   2.648  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.452   1.992   1.551  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.745  -0.462  -1.128  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.114  -1.855  -1.080  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.229  -0.556  -1.509  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   4   8
BRANCH   6  17
ATOM     17  N   LIG    1        0.603   0.140  -3.004  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.246  -0.712  -2.566  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.058   0.190  -2.906  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.544  -0.397  -1.601  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.751   0.419  -0.482  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.174  -0.132   0.732  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.394  -1.512   0.864  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        3.176  -2.324  -0.260  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.753  -1.776  -1.476  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.835  -2.089   2.141  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.141  -3.132   2.758  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        3.499  -3.715   3.929  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        4.607  -3.233   4.529  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        5.371  -2.200   4.013  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.977  -1.625   2.806  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 6