REMARK  Name = BDB036404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.171   0.724  -0.109  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.481   1.863  -0.834  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.392   2.645  -0.643  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.483   1.969  -1.904  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.644   0.856  -1.833  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.392   0.693  -2.748  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.560   1.701  -3.717  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.297   2.817  -3.772  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.339   2.958  -2.856  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.068  -0.023  -0.700  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.796  -2.794   3.195  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.313  -1.880   2.533  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.646  -1.711   1.212  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.224  -2.443   0.821  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.965  -0.950   0.288  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.090  -1.177  -0.914  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.078   0.158   0.881  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.342  -0.397   2.097  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.357  -0.870   3.126  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.312  -0.494  -2.696  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.318  -0.309  -1.674  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.033   0.383  -1.849  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.363  -1.090  -0.541  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.578  -2.005  -0.317  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.436  -0.778   0.442  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.946   0.517   0.603  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        4.942   0.763   1.554  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.418  -0.281   2.347  0.00  0.00    +0.018 A 
ATOM     29 BR   LIG    1        6.756   0.058   3.637  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1        4.906  -1.569   2.204  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        3.912  -1.816   1.255  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4