REMARK  Name = BDB046605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927  -0.753  -0.650  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -1.683   0.005   0.470  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -3.180  -0.332   0.439  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -3.585  -1.613  -0.165  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -4.935  -1.952  -0.154  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -5.894  -1.007   0.432  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -5.359   0.142   0.962  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -6.000   0.804   1.390  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -7.096  -1.247   0.441  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -5.361  -3.174  -0.673  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.411  -4.050  -1.177  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -4.798  -5.238  -1.657  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.056  -3.720  -1.184  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -2.627  -2.475  -0.710  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1       -4.040   0.477   0.988  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -1.260  -2.187  -0.656  0.00  0.00    -0.335 N 
ATOM     17  H   LIG    1       -0.709  -2.702  -1.341  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        3.386  -0.340  -0.253  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        2.668  -1.158   0.630  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        1.285  -1.301   0.501  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        0.588  -0.634  -0.519  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        1.310   0.178  -1.405  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.694   0.322  -1.274  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        4.886  -0.185  -0.107  0.00  0.00    +0.119 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.750   0.227   1.357  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        5.298   0.335   1.209  0.00  0.00    -0.304 NA
ATOM     27  C   LIG    1        4.881   1.728   1.389  0.00  0.00    +0.104 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
BRANCH   2  28
ATOM     28  C   LIG    1       -1.415   1.510   0.384  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -0.561   2.118   1.317  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -0.270   3.481   1.232  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.826   4.252   0.214  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.675   3.662  -0.720  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.966   2.299  -0.639  0.00  0.00    +0.004 A 
ENDBRANCH   2  28
TORSDOF 4