REMARK  Name = BDB019002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.911  -0.980   0.815  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.328  -0.376   0.506  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.461  -0.554   1.316  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.665   0.098   0.999  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.778   0.916  -0.136  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.664   1.087  -0.971  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.405  -1.421   2.546  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.250  -2.408   2.463  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.455   0.445  -0.629  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.027  -1.658   2.117  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -5.383   1.653   1.789  0.00  0.00    +0.134 C 
ATOM     12  N   LIG    1       -4.969   0.640   0.837  0.00  0.00    -0.284 N 
ATOM     13  C   LIG    1       -5.919   0.072   0.019  0.00  0.00    +0.307 C 
ATOM     14  O   LIG    1       -7.099   0.418  -0.005  0.00  0.00    -0.252 OA
ATOM     15  N   LIG    1       -5.493  -0.904  -0.833  0.00  0.00    -0.269 N 
ATOM     16  H   LIG    1       -6.201  -1.240  -1.471  0.00  0.00    +0.156 HD
ATOM     17  C   LIG    1       -4.179  -1.353  -0.942  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -3.835  -2.229  -1.970  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.517  -2.659  -2.094  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -1.558  -2.225  -1.179  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -1.900  -1.363  -0.122  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -3.231  -0.911  -0.019  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -3.687  -0.003   1.082  0.00  0.00    +0.147 C 
ENDBRANCH   1  21
BRANCH   5  24
ATOM     24  C   LIG    1        4.050   1.563  -0.387  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.235   0.890  -0.593  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.186   1.851  -0.785  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.586   1.644  -1.064  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.710   3.105  -0.686  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.405   2.928  -0.459  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        1.702   1.940  -2.213  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        2.745   1.651  -3.040  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        1.786   3.271  -1.936  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3