REMARK  Name = BDB052976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.479   1.280  -1.877  0.00  0.00    -0.223 N 
ATOM      2  C   LIG    1        0.372   2.660  -1.950  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -0.423   3.256  -2.673  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        1.289   3.432  -1.096  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.184   2.769  -0.261  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.035   3.525   0.562  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.990   4.923   0.531  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.098   5.578  -0.313  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.175   1.277  -0.276  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1        1.246   4.834  -1.126  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        1.356   0.620  -1.057  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        3.046   0.570   0.552  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        3.755   1.105   1.035  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.067  -0.770   0.779  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        2.142  -1.621   0.236  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        1.376  -1.356  -0.376  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1        2.319  -2.910   0.581  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        3.396  -2.879   1.376  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        3.917  -4.132   1.972  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        3.898  -1.563   1.533  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  21
ATOM     21  C   LIG    1       -0.412   0.441  -2.678  0.00  0.00    +0.182 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -3.406  -1.476  -0.196  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -2.311  -2.201  -0.681  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -1.350  -1.591  -1.493  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.465  -0.238  -1.833  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -2.561   0.486  -1.347  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.524  -0.129  -0.538  0.00  0.00    +0.023 A 
BRANCH  22  30
ATOM     28  C   LIG    1       -6.201  -2.720   2.011  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.475  -1.671   1.204  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1       -4.324  -2.168   0.620  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1       -4.110  -3.142   0.791  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1       -5.927  -0.536   1.104  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5