REMARK  Name = BDB046385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.542  -0.853   0.064  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.257  -0.587  -0.426  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.108  -1.134   0.179  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.253  -1.968   1.307  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -2.543  -2.239   1.787  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.672  -1.689   1.173  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.204  -0.758  -0.451  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.341  -1.373   0.020  0.00  0.00    -0.311 N 
ATOM      9  H   LIG    1        1.248  -2.002   0.811  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.241   0.073  -1.355  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.662  -1.046  -0.474  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.195   0.256   0.128  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.586   0.574  -0.364  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        5.710   0.207   0.384  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.995   0.490  -0.084  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        7.179   1.149  -1.309  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        6.051   1.503  -2.062  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.767   1.220  -1.593  0.00  0.00    +0.004 A 
BRANCH  16  19
ATOM     19  C   LIG    1        8.565   1.440  -1.829  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        9.514   1.468  -0.850  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.987   0.508  -2.729  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        8.654   2.642  -2.465  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  23
ATOM     23  O   LIG    1       -0.115  -2.478   1.883  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1       -0.258  -3.264   3.063  0.00  0.00    +0.277 C 
ENDBRANCH   4  23
BRANCH   1  25
ATOM     25  C   LIG    1       -4.758  -0.248  -0.598  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.880   1.275  -0.406  0.00  0.00    +0.102 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -6.299   1.166   1.750  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.066   1.729   1.053  0.00  0.00    +0.011 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  C   LIG    1       -6.008   1.800  -1.266  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -6.941   1.161  -1.724  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.907   3.122  -1.502  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -6.684   3.329  -2.063  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 11