REMARK  Name = BDB048840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.511   1.335   0.390  0.00  0.00    -0.072 NA
ATOM      2  C   LIG    1       -1.090   0.146   0.114  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -1.854  -1.089  -0.182  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.940  -2.146  -0.081  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.347  -3.456  -0.253  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.686  -3.696  -0.575  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.594  -2.632  -0.707  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.343  -1.707   0.283  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1        1.115  -2.194  -0.156  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.181  -1.311  -0.506  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.365  -0.314   0.190  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.438   0.490   0.112  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.841   0.123   0.388  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.603   1.272   0.152  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        4.977   1.296   0.325  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        5.603   0.133   0.771  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        4.846  -1.019   1.044  0.00  0.00    +0.002 A 
ATOM     18 BR   LIG    1        5.997   2.847  -0.017  0.00  0.00    -0.048 Br
ATOM     19  N   LIG    1        2.781   2.319  -0.256  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.095   3.239  -0.527  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.456  -1.026   0.862  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.454   1.930  -0.348  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        0.568   2.604  -0.830  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  24
ATOM     24  O   LIG    1       -2.900   1.472   0.310  0.00  0.00    -0.317 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -4.772   2.811   0.702  0.00  0.00    +0.138 C 
ATOM     26  C   LIG    1       -3.300   2.630   0.932  0.00  0.00    +0.333 C 
ATOM     27  O   LIG    1       -2.622   3.402   1.598  0.00  0.00    -0.249 OA
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 2