REMARK  Name = BDB046593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921   0.011   1.430  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.678  -1.141   1.386  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -1.668  -1.706   0.546  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.058   0.877   2.286  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        1.976   0.619  -1.694  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1        1.599  -0.684  -1.334  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.662  -0.901  -0.320  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.079   0.187   0.340  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.457   1.488  -0.010  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.394   1.702  -1.024  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1        3.006   0.845  -2.777  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.470   0.912  -2.303  0.00  0.00    +0.102 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.874  -0.436  -1.726  0.00  0.00    +0.310 C 
ATOM     14  O   LIG    1        5.086  -1.422  -2.423  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.911  -0.430  -0.369  0.00  0.00    -0.465 OA
BRANCH  15  17
ATOM     16  C   LIG    1        5.145  -1.533   1.734  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        5.220  -1.694   0.229  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1        4.752   2.119  -1.391  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        6.243   2.373  -1.202  0.00  0.00    +0.004 C 
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -2.765  -1.358   2.312  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.070  -0.847   1.743  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.822  -1.580   0.798  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -6.022  -1.032   0.309  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -6.474   0.224   0.721  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -5.718   0.952   1.635  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.526   0.422   2.137  0.00  0.00    +0.009 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.369  -2.933   0.303  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -5.140  -3.445  -0.696  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -3.096  -2.910  -0.193  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.364  -3.875   1.287  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
BRANCH  24  31
ATOM     31  O   LIG    1       -7.654   0.620   0.155  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -8.148   1.900   0.528  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 11