REMARK  Name = BDB022927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.668   1.583  -0.801  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.400   1.643  -0.235  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.078   2.054   1.143  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        0.451   3.495   1.190  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.912   1.055   1.768  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.072   0.769   0.865  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        1.998   0.952  -0.504  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.041   0.686  -1.324  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        4.165   0.214  -0.772  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.312  -0.021   0.538  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.263   0.260   1.330  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.740   1.494  -1.150  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -1.811   1.513  -2.025  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.062   0.791  -0.474  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.891   1.627   0.117  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.335   3.079   0.306  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -4.529   3.189   1.260  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -5.389   2.000   1.267  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -6.725   2.320   1.764  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -5.446   1.357  -0.053  0.00  0.00    +0.093 C 
BRANCH  14  25
ATOM     21  C   LIG    1       -3.208  -4.859   0.780  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.410  -3.405   0.476  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -3.053  -2.886  -0.772  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.272  -1.538  -1.069  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.868  -0.683  -0.129  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.227  -1.211   1.119  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.009  -2.559   1.415  0.00  0.00    +0.003 A 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        5.199  -0.036  -1.656  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        4.789  -0.055  -2.583  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.099  -1.137  -1.331  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        7.332  -1.040  -2.234  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        8.239  -2.240  -2.013  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.529  -3.456  -2.241  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        6.429  -3.616  -1.347  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.418  -2.495  -1.530  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4