REMARK  Name = BDB064003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.583  -0.657   0.087  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        0.056  -1.007  -1.112  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.881  -1.321  -1.295  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.029  -0.976  -2.055  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.964  -1.267  -3.232  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.212  -0.527  -1.273  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.412  -0.356  -1.841  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.855  -0.371   0.049  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.650   0.062  -1.164  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.865  -0.489  -1.605  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        7.061  -0.076  -0.992  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.078   0.873   0.032  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.331   1.180   0.539  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        9.241   0.475  -0.091  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.856   1.431   0.453  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.678  -0.584  -1.312  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.659   1.025  -0.151  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.125  -0.651   1.248  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        0.449  -0.477   2.066  0.00  0.00    +0.155 HD
BRANCH  18  27
ATOM     20  C   LIG    1       -6.049   1.226  -1.948  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -4.752   0.784  -1.315  0.00  0.00    +0.217 C 
ATOM     22  N   LIG    1       -4.846   0.366   0.000  0.00  0.00    -0.271 N 
ATOM     23  C   LIG    1       -3.772  -0.047   0.811  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -4.242  -0.463   2.054  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -3.373  -0.924   3.026  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.007  -0.960   2.729  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -1.506  -0.530   1.480  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -5.730  -0.362   2.140  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -2.415  -0.070   0.517  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -6.085   0.276   0.790  0.00  0.00    +0.118 C 
ATOM     31  O   LIG    1       -3.714   0.801  -1.976  0.00  0.00    -0.276 OA
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 3