REMARK  Name = BDB047070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168  -0.535  -0.721  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.626  -1.355  -1.700  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -0.264  -2.119  -2.364  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -1.617  -2.115  -2.101  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -2.079  -1.270  -1.095  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -1.180  -0.465  -0.391  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        2.548   2.385   2.531  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        2.211   1.557   1.402  0.00  0.00    -0.339 N 
ATOM      9  C   LIG    1        1.004   0.964   1.155  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        1.174   0.274  -0.032  0.00  0.00    +0.107 A 
ATOM     11  N   LIG    1        2.466   0.451  -0.492  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        3.059   1.223   0.388  0.00  0.00    +0.199 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -3.531  -1.256  -0.808  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -4.375  -1.919  -1.381  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -3.859  -0.412   0.186  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -4.832  -0.506   0.261  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 3