REMARK  Name = BDB047483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.689  -0.408  -0.059  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.443  -0.077  -0.606  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.390   0.399   0.200  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.589   0.532   1.589  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.842   0.207   2.129  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.879  -0.259   1.315  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.891   0.716  -0.514  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.837   1.440   0.172  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.671   1.610   1.157  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.062   0.339  -1.671  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.156   1.690  -0.355  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.154   0.720   0.226  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1        4.247  -0.583  -0.282  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        5.151  -1.486   0.270  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1        5.217  -2.725  -0.236  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.976  -1.126   1.333  0.00  0.00    +0.090 A 
ATOM     17  C   LIG    1        5.879   0.174   1.849  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.973   1.088   1.302  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.929  -2.138   1.892  0.00  0.00    +0.420 C 
ATOM     20  F   LIG    1        7.693  -1.641   2.909  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.814  -2.607   0.971  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.303  -3.229   2.413  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  23
ATOM     23  O   LIG    1        0.460   0.986   2.350  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1        0.350   0.863   3.765  0.00  0.00    +0.277 C 
ENDBRANCH   4  23
BRANCH   1  25
ATOM     25  C   LIG    1       -3.809  -0.901  -0.948  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.481   0.226  -1.750  0.00  0.00    +0.102 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -4.852  -1.012  -3.955  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.499  -0.299  -2.776  0.00  0.00    +0.011 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  C   LIG    1       -5.184   1.205  -0.836  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -5.049   2.418  -0.845  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.064   0.631   0.007  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -6.452   1.394   0.486  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10