REMARK  Name = BDB006978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.558  -1.575  -0.968  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.361  -2.275  -0.920  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.811  -2.108  -0.162  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.775  -3.018  -0.590  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.030  -3.052   0.004  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        3.351  -2.180   1.030  0.00  0.00    -0.143 N 
ATOM      7  C   LIG    1        2.390  -1.255   1.458  0.00  0.00    +0.068 A 
ATOM      8  O   LIG    1        4.498  -2.259   1.572  0.00  0.00    -0.164 OA
ATOM      9  C   LIG    1        1.279  -3.873  -1.730  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        1.969  -3.474  -3.040  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.457  -5.370  -1.465  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        1.096  -1.251   0.885  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -0.214  -3.482  -1.750  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1       -2.518  -2.042  -1.593  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -1.644  -0.218  -0.253  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.902   1.903   0.019  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -2.711   0.663  -0.795  0.00  0.00    -0.286 NA
ATOM     18  C   LIG    1       -2.424   1.066  -2.195  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -1.274   2.102  -2.356  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1       -1.144   2.526  -3.819  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1       -1.477   3.307  -1.528  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -2.300   3.800  -1.876  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -1.737   2.921  -0.127  0.00  0.00    +0.102 C 
BRANCH  16  24
ATOM     24  C   LIG    1       -3.253   1.657   1.507  0.00  0.00    +0.179 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.450   1.125   3.655  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -2.099   1.351   2.295  0.00  0.00    -0.381 OA
ENDBRANCH  24  26
ENDBRANCH  16  24
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   7  27
ATOM     27  C   LIG    1        2.786  -0.321   2.575  0.00  0.00    +0.095 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.276   1.099   2.441  0.00  0.00    -0.006 A 
ATOM     29  C   LIG    1        2.622   1.884   1.332  0.00  0.00    +0.130 A 
ATOM     30  F   LIG    1        3.397   1.369   0.367  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        2.170   3.191   1.197  0.00  0.00    +0.077 A 
ATOM     32  C   LIG    1        1.368   3.728   2.192  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1        0.922   4.985   2.076  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        1.016   2.981   3.311  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        1.470   1.667   3.439  0.00  0.00    +0.009 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6