REMARK  Name = BDB004087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.615  -0.593   0.478  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        0.535  -1.436   0.040  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.393  -0.237   0.319  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -1.556   0.015  -0.669  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -1.496   0.099  -1.891  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -2.709   0.147   0.062  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -2.524  -0.055   1.409  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -3.396  -0.107   2.263  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.050  -0.214   1.696  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        0.891   0.602   0.158  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        7.540   0.726  -0.187  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        6.118   0.772   0.058  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1        5.277  -0.306  -0.053  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1        3.989   0.117   0.255  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1        2.968  -0.854   0.193  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        3.325  -2.124  -0.138  0.00  0.00    -0.220 NA
ATOM     17  C   LIG    1        4.614  -2.392  -0.411  0.00  0.00    +0.225 A 
ATOM     18  C   LIG    1        4.088   1.503   0.574  0.00  0.00    +0.032 A 
ATOM     19  N   LIG    1        5.655  -1.547  -0.399  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        5.408   1.880   0.441  0.00  0.00    +0.088 A 
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1       -4.020   0.217  -0.574  0.00  0.00    +0.170 C 
ATOM     22  C   LIG    1       -4.643  -1.182  -0.586  0.00  0.00    +0.240 C 
ATOM     23  O   LIG    1       -3.988  -2.220  -0.503  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1       -6.007  -1.226  -0.767  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1       -6.421  -2.148  -0.788  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1       -6.889  -0.173  -0.785  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1       -8.097  -0.361  -0.896  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1       -6.290   1.214  -0.729  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -4.984   1.221   0.054  0.00  0.00    +0.041 C 
ENDBRANCH   6  21
TORSDOF 2