REMARK  Name = BDB019006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.968   0.274   1.005  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -0.413   0.204   0.696  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -1.229   1.349   0.689  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.599   1.243   0.388  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.176   0.013   0.045  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.368  -1.132  -0.015  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.670   2.703   1.036  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.837   2.733   0.847  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.001  -1.014   0.309  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.452   1.547   1.573  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.761  -0.540  -0.603  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        3.530  -0.269  -0.091  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        3.058  -1.046   0.910  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        3.827  -2.120   1.421  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.331  -2.928   2.456  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.076  -2.687   3.003  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        1.307  -1.635   2.517  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        5.095  -2.364   0.873  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        1.781  -0.815   1.473  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        5.575  -1.563  -0.155  0.00  0.00    +0.033 A 
BRANCH  11  24
ATOM     21  C   LIG    1        4.524   2.274  -3.112  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        4.262   1.261  -2.129  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        3.392   1.261  -1.599  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.215   0.355  -1.715  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        6.342   0.271  -2.189  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  19
BRANCH   5  26
ATOM     26  C   LIG    1       -4.593  -0.028  -0.253  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.193   0.682  -1.271  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.520   0.369  -1.219  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.565   0.861  -2.084  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.827  -0.500  -0.239  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.654  -0.734   0.355  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.915  -2.481  -0.405  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.944  -3.397  -0.693  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.655  -3.046   0.591  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4