REMARK  Name = BDB057284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253  -0.156  -0.312  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.364  -1.232  -0.468  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.060  -0.966  -0.266  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.239  -1.095   1.242  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.173  -2.128   1.646  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.653  -2.378   0.380  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.928   0.919   0.193  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.667   0.251  -1.000  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.898   0.651  -0.534  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        3.354   0.146   0.215  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.165   0.742  -2.011  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.650   1.677  -1.224  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        4.865   2.075  -0.431  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1        6.018   1.469  -0.949  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1        7.244   1.664  -0.345  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1        7.331   2.489   0.774  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        6.178   3.111   1.288  0.00  0.00    +0.003 A 
ATOM     18  F   LIG    1        8.344   1.073  -0.832  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        5.696   0.616  -2.131  0.00  0.00    +0.040 C 
ATOM     20  C   LIG    1        4.931   2.898   0.689  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.308   1.149  -2.525  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.692  -0.426  -0.791  0.00  0.00    +0.160 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.249  -1.321   0.926  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -3.553  -0.268   0.378  0.00  0.00    -0.303 N 
ATOM     25  H   LIG    1       -3.438   0.587   0.910  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -4.274  -2.440   0.415  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -4.969  -0.997   2.259  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -3.947  -1.085   3.396  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -7.242  -1.692   1.712  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -6.051  -1.978   2.513  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -5.695  -2.900   2.230  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -3.115   0.566  -1.878  0.00  0.00    +0.046 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -2.244   0.461  -3.132  0.00  0.00    +0.080 C 
BRANCH  33  34
ATOM     34  N   LIG    1       -2.779   1.310  -4.195  0.00  0.00    -0.330 NA
ATOM     35  H   LIG    1       -2.793   2.278  -3.872  0.00  0.00    +0.118 HD
ATOM     36  H   LIG    1       -2.129   1.296  -4.981  0.00  0.00    +0.118 HD
ENDBRANCH  33  34
ENDBRANCH  32  33
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 9