REMARK  Name = BDB036981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.362  -1.813   0.520  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.564  -1.283   0.063  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.889   0.075  -0.382  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        4.205   0.069  -0.762  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        4.787  -1.142  -0.513  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        5.950  -1.475  -0.640  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        2.108   1.010  -0.374  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        3.734  -2.021  -0.009  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.791  -3.346   0.364  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.604  -3.924   0.811  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.409  -3.171   0.876  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.923   1.281  -1.123  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.673   1.811   0.104  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        5.368   1.542   1.264  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.702   2.689  -0.160  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        7.190   3.053   0.648  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.236   3.016  -1.382  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.202   3.769  -1.469  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.537   2.457  -2.599  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.886   1.116  -2.295  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        0.192  -1.057   0.485  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        0.397  -0.053   0.430  0.00  0.00    +0.146 HD
BRANCH  21  25
ATOM     23  C   LIG    1       -2.821  -0.021   0.483  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -1.785  -0.135   1.614  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -0.964  -1.397   1.317  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1       -1.943  -2.270   0.535  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -2.673  -1.284  -0.368  0.00  0.00    +0.016 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.239   0.071   1.013  0.00  0.00    +0.311 C 
ATOM     29  O   LIG    1       -4.634  -0.470   2.036  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.998   0.805   0.155  0.00  0.00    -0.459 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -6.607   1.838   1.703  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.407   1.031   0.416  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -7.192  -0.285   0.435  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -6.892   1.873  -0.774  0.00  0.00    +0.055 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 6