REMARK  Name = BDB034525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.098  -0.300   0.867  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.696  -0.025   2.171  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.243  -0.337   3.212  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.454   0.749   2.086  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.202   1.015   0.743  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -1.086   1.744   0.368  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -0.221   2.185   1.376  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -0.507   1.935   2.733  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.635   1.200   3.103  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -3.299   0.454  -0.099  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.548  -4.313  -1.508  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.935  -3.342  -0.863  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.457  -2.243  -1.498  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.503  -2.307  -2.506  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.643  -0.988  -0.968  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.828  -0.025  -1.712  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.426  -0.837   0.547  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.714  -2.189   1.211  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.800  -3.263   0.638  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  O   LIG    1        0.905   2.927   1.139  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.756   2.438   0.084  0.00  0.00    +0.190 C 
ATOM     22  C   LIG    1        2.554   1.188   0.538  0.00  0.00    +0.097 C 
ATOM     23  C   LIG    1        3.615   1.835   1.444  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        4.011   3.131   0.745  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        2.836   3.500  -0.164  0.00  0.00    +0.046 C 
BRANCH  22  26
ATOM     26  N   LIG    1        3.181   0.508  -0.611  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        3.848  -0.750  -0.186  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1        3.220  -1.454  -1.415  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        2.180  -0.306  -1.349  0.00  0.00    +0.090 C 
BRANCH  28  30
ATOM     30  C   LIG    1        3.994  -1.669  -2.704  0.00  0.00    -0.005 C 
ATOM     31  C   LIG    1        5.128  -0.805  -3.184  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        5.394  -2.220  -2.746  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  22  26
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 5