REMARK  Name = BDB056770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.693   0.818  -1.155  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.542   0.019  -1.159  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.556   0.320  -0.211  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.681   1.374   0.689  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.418   1.458   1.503  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.233   0.494   1.115  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.830   2.179   0.660  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.667  -0.235   0.089  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.256  -1.376  -0.571  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.832   1.895  -0.276  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.643   0.529  -2.113  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -7.106  -1.111   1.041  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -6.683  -0.388  -0.201  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -7.634   0.238  -1.011  0.00  0.00    +0.127 A 
ATOM     15  F   LIG    1       -8.933   0.172  -0.687  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -7.265   0.929  -2.162  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -5.918   1.016  -2.511  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -4.951   0.427  -1.694  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -5.330  -0.287  -0.550  0.00  0.00    +0.052 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.570   0.201   1.721  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.521   0.156   0.657  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.814  -0.140   0.991  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.687  -0.234  -0.097  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        7.040  -0.535   0.100  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.520  -0.740   1.397  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.652  -0.644   2.485  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.302  -0.344   2.283  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.994  -0.644  -1.028  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        9.183  -0.889  -0.934  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.415  -0.447  -2.225  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.154  -0.541  -2.863  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7