REMARK  Name = BDB031618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.879   0.432  -0.046  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.778   0.574  -1.046  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.301   0.245   0.652  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.392   0.502   1.847  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.434  -0.984  -0.342  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.486  -0.310   0.050  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.222   0.917  -0.500  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.821   1.146  -1.283  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.980   1.495  -0.541  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.637   2.170  -1.512  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.000   1.128   0.580  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.700   0.322   1.675  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.501  -0.821   1.072  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.399  -0.266  -0.149  0.00  0.00    +0.100 A 
ATOM     15  C   LIG    1        2.748  -0.202   0.155  0.00  0.00    +0.168 A 
ATOM     16  N   LIG    1        3.419  -0.838  -0.898  0.00  0.00    -0.221 N 
ATOM     17  C   LIG    1        4.807  -0.948  -0.894  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1        5.525  -0.444   0.117  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.728   0.220   1.183  0.00  0.00    +0.114 A 
ATOM     20  N   LIG    1        2.563  -1.289  -1.845  0.00  0.00    -0.173 NA
ATOM     21  N   LIG    1        3.435   0.342   1.210  0.00  0.00    -0.235 NA
ATOM     22  C   LIG    1        1.360  -0.952  -1.383  0.00  0.00    +0.150 A 
ENDBRANCH   3  14
TORSDOF 2