REMARK  Name = BDB057682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.650   0.263   1.006  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -0.252   0.689   0.669  0.00  0.00    -0.282 NA
ATOM      3  C   LIG    1        0.018   2.136   0.820  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -0.886   3.025  -0.073  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1       -2.277   2.586   0.135  0.00  0.00    +0.042 A 
ATOM      6  N   LIG    1       -3.437   3.267  -0.076  0.00  0.00    -0.348 N 
ATOM      7  H   LIG    1       -3.542   4.199  -0.452  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -4.452   2.447   0.343  0.00  0.00    +0.197 A 
ATOM      9  N   LIG    1       -3.999   1.297   0.795  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.635   1.349   0.621  0.00  0.00    +0.085 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -4.150  -1.918   1.376  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.993  -1.947   0.453  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -1.971  -1.026   0.301  0.00  0.00    +0.062 A 
ATOM     14  N   LIG    1       -1.197  -1.540  -0.717  0.00  0.00    -0.346 N 
ATOM     15  H   LIG    1       -0.327  -1.135  -1.051  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -1.741  -2.728  -1.100  0.00  0.00    +0.197 A 
ATOM     17  N   LIG    1       -2.829  -3.002  -0.418  0.00  0.00    -0.241 NA
ENDBRANCH   1  13
BRANCH   2  18
ATOM     18  C   LIG    1        0.746  -0.121   1.382  0.00  0.00    +0.159 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.888  -0.439   0.461  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        3.188  -0.108   0.754  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1        3.506   0.367   1.586  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        3.984  -0.528  -0.281  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1        3.099  -1.116  -1.177  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1        3.593  -1.663  -2.370  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        4.970  -1.597  -2.619  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.835  -0.999  -1.699  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.360  -0.448  -0.503  0.00  0.00    +0.028 A 
ATOM     28  N   LIG    1        1.810  -1.056  -0.706  0.00  0.00    -0.231 NA
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 3