REMARK  Name = BDB046570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.965  -0.256  -0.859  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        2.240  -0.419  -0.361  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        2.346  -0.753   0.588  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.713  -0.190  -2.057  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.474  -0.623   0.673  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1       -1.407  -0.650  -0.236  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.132  -0.210   0.146  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        0.074   0.283   1.440  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.983   0.310   2.350  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.247  -0.144   1.971  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.847  -1.096   0.257  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.558  -0.152  -0.728  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.576   2.156  -1.089  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -4.960   1.187  -0.087  0.00  0.00    +0.011 C 
ENDBRANCH  12  14
BRANCH  12  15
ATOM     15  C   LIG    1       -5.758  -0.883  -1.284  0.00  0.00    +0.308 C 
ATOM     16  O   LIG    1       -5.879  -1.292  -2.428  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.734  -1.094  -0.382  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -7.426  -1.569  -0.891  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        3.351  -0.574  -1.267  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.666  -0.570  -0.523  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        5.148   0.574   0.157  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        6.377   0.492   0.842  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        7.121  -0.687   0.847  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.648  -1.807   0.174  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.431  -1.751  -0.504  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1        4.370   1.874   0.207  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1        3.884   2.268  -1.000  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        5.118   2.925   0.653  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        3.303   1.809   1.054  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9