REMARK  Name = BDB034361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.673  -1.750   1.188  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        2.773  -0.895   0.908  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        3.793  -0.813   1.887  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        4.892   0.000   1.653  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        5.021   0.731   0.473  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1        4.016   0.691  -0.486  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1        3.751  -1.485   3.048  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1        2.680  -2.267   3.290  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        2.903  -0.121  -0.272  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.631  -2.423   2.410  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.566  -1.898   0.312  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.837  -1.694  -0.646  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -0.581  -1.072   0.723  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.742  -1.316  -0.242  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.941  -0.405   0.033  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.513  -0.670   1.353  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -3.865  -1.626   1.389  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.601   0.258   1.684  0.00  0.00    +0.120 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.318   0.786  -0.138  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -5.886  -0.021   0.935  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -6.667  -1.127   1.319  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -7.848  -1.415   0.648  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -8.581  -2.471   1.024  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -8.277  -0.624  -0.407  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -7.513   0.476  -0.801  0.00  0.00    +0.049 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -5.917   2.690  -1.525  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.504   1.840  -0.463  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        6.132   1.533   0.348  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.834   1.453  -0.834  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        7.206   0.234  -1.410  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1        7.949   0.225  -2.593  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        8.328   1.431  -3.182  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        9.243   1.419  -4.639  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        7.978   2.647  -2.596  0.00  0.00    +0.023 A 
ATOM     35  C   LIG    1        7.235   2.658  -1.414  0.00  0.00    +0.048 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 10