REMARK  Name = BDB047461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.079   0.144   0.139  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1        0.632   0.911   1.067  0.00  0.00    +0.149 A 
ATOM      3  C   LIG    1        1.987   0.602   0.955  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        2.873   1.204   1.870  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        2.352   2.076   2.820  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        0.988   2.306   2.829  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        2.101  -0.304  -0.126  0.00  0.00    +0.170 A 
ATOM      8  N   LIG    1        0.095   1.750   1.987  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        0.844  -0.545  -0.648  0.00  0.00    +0.176 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.346  -0.190  -0.042  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -3.716   1.010   0.337  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.321   1.123   0.399  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.508   0.037   0.072  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -2.117  -1.169  -0.294  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.514  -1.276  -0.351  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.465   0.021   1.304  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.881  -0.273  -0.095  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -6.417  -1.655  -0.533  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.423   0.766  -1.100  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   9  20
ATOM     20  C   LIG    1        0.568  -1.308  -1.827  0.00  0.00    +0.358 C 
ATOM     21  O   LIG    1        1.005  -2.404  -2.136  0.00  0.00    -0.243 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -0.238  -0.630  -2.670  0.00  0.00    -0.476 OA
ATOM     23  H   LIG    1       -0.327  -1.231  -3.437  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH   9  20
BRANCH   7  24
ATOM     24  O   LIG    1        3.206  -0.888  -0.651  0.00  0.00    -0.453 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.404  -0.223  -0.715  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        5.542  -0.914  -0.296  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1        6.805  -0.306  -0.368  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        6.901   1.003  -0.867  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        5.763   1.681  -1.308  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.514   1.065  -1.241  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.031  -1.037   0.120  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1        8.239  -0.858   1.453  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.964  -2.383  -0.072  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.177  -0.630  -0.495  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 7