REMARK  Name = BDB032717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.193   0.100  -0.849  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.321   0.722   0.028  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.434   0.869   1.228  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.165   1.161  -0.760  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.341   0.720  -2.069  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.382   0.986  -3.029  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.246   1.709  -2.643  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.075   2.163  -1.314  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        2.052   1.872  -0.351  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.619  -0.039  -2.181  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.385  -1.096   3.550  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.105  -0.916   2.366  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.485  -1.901   1.643  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.227  -2.724   2.168  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.053  -1.862   0.342  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.373  -2.779  -0.121  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.405  -0.617  -0.473  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.507   0.231   0.157  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.401   0.384   1.663  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.176   2.910  -0.924  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.110   1.998  -0.338  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.065   1.509  -1.171  0.00  0.00    +0.403 C 
ATOM     23  N   LIG    1       -2.899   0.613  -0.538  0.00  0.00    -0.264 N 
ATOM     24  C   LIG    1       -2.758   0.223   0.869  0.00  0.00    +0.130 C 
ATOM     25  C   LIG    1       -4.098  -0.194   1.504  0.00  0.00    +0.124 C 
ATOM     26  N   LIG    1       -4.803  -1.238   0.717  0.00  0.00    -0.327 N 
ATOM     27  C   LIG    1       -4.341  -1.412  -0.675  0.00  0.00    +0.124 C 
ATOM     28  C   LIG    1       -3.935  -0.074  -1.310  0.00  0.00    +0.130 C 
ATOM     29  O   LIG    1       -2.174   1.819  -2.351  0.00  0.00    -0.226 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -6.168  -1.334   1.020  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.565  -1.623   2.338  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -7.912  -1.726   2.696  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -8.902  -1.540   1.738  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.539  -1.254   0.426  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -7.187  -1.155   0.074  0.00  0.00    +0.023 A 
ENDBRANCH  26  30
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5