REMARK  Name = BDB034426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.651  -1.846   1.061  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        2.769  -1.011   0.796  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        3.809  -1.002   1.758  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        4.926  -0.210   1.538  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        5.056   0.570   0.390  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1        4.032   0.601  -0.550  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1        3.768  -1.721   2.890  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        2.679  -2.481   3.120  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        2.900  -0.189  -0.351  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.610  -2.569   2.255  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.524  -1.926   0.202  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.788  -1.710  -0.755  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -0.577  -1.058   0.650  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.797  -1.302  -0.241  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.943  -0.330   0.044  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.447  -0.493   1.407  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -3.829  -1.431   1.522  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.484   0.493   1.736  0.00  0.00    +0.120 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.307   0.909  -0.011  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -5.827   0.194   1.106  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -6.612  -0.841   1.647  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -7.846  -1.147   1.089  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -8.584  -2.133   1.615  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -8.324  -0.445  -0.006  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -7.556   0.584  -0.557  0.00  0.00    +0.049 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -5.928   2.626  -1.629  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.485   1.894  -0.493  0.00  0.00    -0.495 OA
ENDBRANCH  19  27
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   5  28
ATOM     28  O   LIG    1        6.186   1.347   0.282  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.856   1.323  -0.921  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        7.173   0.134  -1.587  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        7.887   0.182  -2.785  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        8.291   1.413  -3.294  0.00  0.00    +0.124 A 
ATOM     33  F   LIG    1        8.977   1.457  -4.444  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        8.000   2.598  -2.625  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        7.285   2.552  -1.428  0.00  0.00    +0.049 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 10